 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer06_STD_wB97XD_def2SVPD.in
 Output=31_naproxen_conformer06_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-5389.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      5398.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer06_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer06_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.567529000000     -0.314210000000      0.221267000000
  C                                                 1.116501000000      0.958834000000     -0.121705000000
  C                                                -0.832468000000     -0.452394000000      0.346989000000
  C                                                -1.683696000000      0.608480000000      0.142165000000
  C                                                -1.129092000000      1.866387000000     -0.201361000000
  C                                                 0.222901000000      2.038684000000     -0.327975000000
  C                                                 1.454755000000     -1.393161000000      0.424360000000
  H                                                -1.231675000000     -1.426463000000      0.608205000000
  H                                                -1.795403000000      2.705320000000     -0.363172000000
  H                                                 0.626528000000      3.008752000000     -0.590297000000
  C                                                -3.181225000000      0.455073000000      0.309625000000
  C                                                -3.596004000000      0.302981000000      1.774735000000
  C                                                -3.777838000000     -0.669365000000     -0.546498000000
  H                                                -3.650918000000      1.363909000000     -0.084442000000
  H                                                -3.157853000000     -0.597186000000      2.206387000000
  H                                                -4.678109000000      0.225656000000      1.860053000000
  H                                                -3.249256000000      1.161577000000      2.349930000000
  O                                                -4.726990000000     -1.325156000000     -0.223619000000
  O                                                -3.202213000000     -0.855212000000     -1.757282000000
  H                                                -2.391116000000     -0.328302000000     -1.815758000000
  C                                                 2.811014000000     -1.236817000000      0.299275000000
  C                                                 3.349389000000      0.027072000000     -0.040677000000
  C                                                 2.511206000000      1.099868000000     -0.246327000000
  O                                                 4.681594000000      0.258681000000     -0.182443000000
  C                                                 5.589463000000     -0.812553000000      0.016953000000
  H                                                 1.048620000000     -2.363129000000      0.683601000000
  H                                                 3.460822000000     -2.083374000000      0.461722000000
  H                                                 2.940663000000      2.058592000000     -0.506194000000
  H                                                 5.415680000000     -1.623094000000     -0.696322000000
  H                                                 5.528037000000     -1.205433000000      1.035691000000
  H                                                 6.580248000000     -0.396589000000     -0.147622000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.567529   -0.314210    0.221267
      2          6           0        1.116501    0.958834   -0.121705
      3          6           0       -0.832468   -0.452394    0.346989
      4          6           0       -1.683696    0.608480    0.142165
      5          6           0       -1.129092    1.866387   -0.201361
      6          6           0        0.222901    2.038684   -0.327975
      7          6           0        1.454755   -1.393161    0.424360
      8          1           0       -1.231675   -1.426463    0.608205
      9          1           0       -1.795403    2.705320   -0.363172
     10          1           0        0.626528    3.008752   -0.590297
     11          6           0       -3.181225    0.455073    0.309625
     12          6           0       -3.596004    0.302981    1.774735
     13          6           0       -3.777838   -0.669365   -0.546498
     14          1           0       -3.650918    1.363909   -0.084442
     15          1           0       -3.157853   -0.597186    2.206387
     16          1           0       -4.678109    0.225656    1.860053
     17          1           0       -3.249256    1.161577    2.349930
     18          8           0       -4.726990   -1.325156   -0.223619
     19          8           0       -3.202213   -0.855212   -1.757282
     20          1           0       -2.391116   -0.328302   -1.815758
     21          6           0        2.811014   -1.236817    0.299275
     22          6           0        3.349389    0.027072   -0.040677
     23          6           0        2.511206    1.099868   -0.246327
     24          8           0        4.681594    0.258681   -0.182443
     25          6           0        5.589463   -0.812553    0.016953
     26          1           0        1.048620   -2.363129    0.683601
     27          1           0        3.460822   -2.083374    0.461722
     28          1           0        2.940663    2.058592   -0.506194
     29          1           0        5.415680   -1.623094   -0.696322
     30          1           0        5.528037   -1.205433    1.035691
     31          1           0        6.580248   -0.396589   -0.147622
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.428160   0.000000
     3  C    1.412407   2.451473   0.000000
     4  C    2.434261   2.834339   1.375498   0.000000
     5  C    2.795021   2.423362   2.401129   1.417013   0.000000
     6  C    2.440603   1.416737   2.788342   2.429326   1.368796
     7  C    1.411578   2.438131   2.474352   3.733105   4.206239
     8  H    2.150340   3.425834   1.084625   2.136003   3.392460
     9  H    3.878476   3.404072   3.376793   2.159764   1.083495
    10  H    3.421139   2.159124   3.871267   3.411003   2.130369
    11  C    3.827892   4.348594   2.518244   1.514652   2.542472
    12  C    4.486557   5.121946   3.200966   2.532891   3.526308
    13  C    4.426942   5.175523   3.085547   2.548053   3.683071
    14  H    4.550257   4.784742   3.380643   2.119431   2.574055
    15  H    4.230750   5.109923   2.980896   2.808520   3.997789
    16  H    5.522119   6.167854   4.187848   3.473356   4.420062
    17  H    4.612700   5.020948   3.529524   2.762448   3.391303
    18  O    5.408499   6.274821   4.031700   3.624139   4.809502
    19  O    4.291654   4.961569   3.194669   2.838342   3.758433
    20  H    3.592109   4.102428   2.668756   2.282864   3.002606
    21  C    2.427038   2.805260   3.727272   4.861298   5.040332
    22  C    2.814930   2.420854   4.227068   5.069853   4.844140
    23  C    2.448702   1.407346   3.733858   4.241414   3.720396
    24  O    4.173334   3.633702   5.584873   6.383153   6.029025
    25  C    5.050734   4.812944   6.440484   7.411738   7.236253
    26  H    2.154825   3.418854   2.702352   4.072980   4.838842
    27  H    3.399839   3.884747   4.594083   5.815003   6.091601
    28  H    3.433825   2.164455   4.611886   4.889570   4.085679
    29  H    5.104872   5.047720   6.441924   7.488933   7.433405
    30  H    5.105311   5.048293   6.441848   7.489844   7.435304
    31  H    6.024588   5.629420   7.429409   8.329881   8.034791
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723041   0.000000
     8  H    3.872915   2.692919   0.000000
     9  H    2.125839   5.289733   4.281704   0.000000
    10  H    1.082940   4.592638   4.955851   2.451409   0.000000
    11  C    3.808206   4.992138   2.725816   2.727044   4.672271
    12  C    4.692344   5.496415   3.153065   3.685654   5.544759
    13  C    4.836031   5.370891   2.896460   3.918183   5.738371
    14  H    3.939683   5.824793   3.757482   2.306515   4.610634
    15  H    4.979990   5.008528   2.636674   4.400619   5.928387
    16  H    5.665195   6.503369   4.021757   4.404708   6.472172
    17  H    4.471730   5.688781   3.715130   3.443509   5.203719
    18  O    5.985627   6.215985   3.594360   4.985821   6.897635
    19  O    4.706268   5.170716   3.131274   4.074315   5.563392
    20  H    3.827428   4.576328   2.902733   3.415808   4.663031
    21  C    4.221455   1.370959   4.058908   6.099046   4.856766
    22  C    3.728814   2.413081   4.849738   5.809122   4.075104
    23  C    2.474749   2.789463   4.595838   4.597609   2.704471
    24  O    4.803075   3.675497   6.199321   6.926052   4.916584
    25  C    6.086749   4.195104   6.874183   8.188783   6.293000
    26  H    4.591411   1.083046   2.466328   5.905368   5.536974
    27  H    5.300860   2.121814   4.740519   7.158208   5.921969
    28  H    2.723672   3.871492   5.549405   4.782158   2.503018
    29  H    6.364688   4.122830   6.777004   8.416999   6.663424
    30  H    6.366188   4.123178   6.776821   8.419239   6.665432
    31  H    6.810209   5.252713   7.915684   8.934194   6.873070
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.530268   0.000000
    13  C    1.534032   2.523221   0.000000
    14  H    1.096304   2.141290   2.088973   0.000000
    15  H    2.169217   1.090230   2.822759   3.055635   0.000000
    16  H    2.167284   1.088214   2.720852   2.476248   1.763007
    17  H    2.160236   1.090078   3.467138   2.475568   1.766977
    18  O    2.417220   2.814850   1.197999   2.899719   2.982794
    19  O    2.447323   3.737864   1.353470   2.815001   3.972306
    20  H    2.399000   3.839520   1.910587   2.729127   4.103393
    21  C    6.226518   6.752617   6.667106   6.976215   6.298696
    22  C    6.553992   7.184033   7.179014   7.126945   6.912539
    23  C    5.755746   6.482109   6.540058   6.169902   6.405781
    24  O    7.880649   8.505947   8.517969   8.406063   8.239900
    25  C    8.866651   9.418440   9.385324   9.493783   9.019731
    26  H    5.096441   5.465460   5.260863   6.047012   4.809558
    27  H    7.112217   7.564224   7.444067   7.922052   7.004247
    28  H    6.380779   7.142326   7.251319   6.641491   7.183533
    29  H    8.901544   9.540772   9.244069   9.565552   9.109538
    30  H    8.895825   9.277372   9.454629   9.597366   8.785510
    31  H    9.809218  10.379834  10.369352  10.381720  10.020589
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.776949   0.000000
    18  O    2.597902   3.871782   0.000000
    19  O    4.053598   4.575898   2.213123   0.000000
    20  H    4.364492   4.506562   2.997488   0.968985   0.000000
    21  C    7.788570   6.832595   7.556635   6.366628   5.688666
    22  C    8.251844   7.109446   8.190842   6.829981   6.019186
    23  C    7.542369   6.318804   7.633658   6.224828   5.341867
    24  O    9.580027   8.374158   9.541053   8.116359   7.282547
    25  C   10.483221   9.352161  10.331981   8.969019   8.202620
    26  H    6.393846   5.802753   5.937854   5.128480   4.713714
    27  H    8.574914   7.688965   8.251355   7.129404   6.520151
    28  H    8.185626   6.875840   8.385851   6.913060   5.986659
    29  H   10.575325   9.597664  10.158050   8.716843   7.992227
    30  H   10.338907   9.185360  10.332752   9.172820   8.462453
    31  H   11.452884  10.260838  11.345556   9.924610   9.125388
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.415214   0.000000
    23  C    2.418194   1.376857   0.000000
    24  O    2.442875   1.359599   2.328575   0.000000
    25  C    2.824798   2.392953   3.633502   1.418283   0.000000
    26  H    2.126574   3.395759   3.872502   4.563159   4.844374
    27  H    1.079490   2.172281   3.396488   2.718539   2.518714
    28  H    3.394895   2.123873   1.082181   2.524943   3.941230
    29  H    2.815086   2.724422   4.006618   2.084234   1.093590
    30  H    2.815228   2.724728   4.007400   2.084214   1.093597
    31  H    3.887522   3.260272   4.336615   2.008850   1.087091
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438486   0.000000
    28  H    4.954499   4.285243   0.000000
    29  H    4.639294   2.318274   4.440346   0.000000
    30  H    4.639979   2.318102   4.441371   1.785199   0.000000
    31  H    5.929344   3.598244   4.404891   1.778090   1.778091
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.15D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.567529   -0.314210    0.221267
      2          6           0        1.116501    0.958834   -0.121705
      3          6           0       -0.832468   -0.452394    0.346989
      4          6           0       -1.683696    0.608480    0.142165
      5          6           0       -1.129092    1.866387   -0.201361
      6          6           0        0.222901    2.038684   -0.327975
      7          6           0        1.454755   -1.393161    0.424360
      8          1           0       -1.231675   -1.426463    0.608205
      9          1           0       -1.795403    2.705320   -0.363172
     10          1           0        0.626528    3.008752   -0.590297
     11          6           0       -3.181225    0.455073    0.309625
     12          6           0       -3.596004    0.302981    1.774735
     13          6           0       -3.777838   -0.669365   -0.546498
     14          1           0       -3.650918    1.363909   -0.084442
     15          1           0       -3.157853   -0.597186    2.206387
     16          1           0       -4.678109    0.225656    1.860053
     17          1           0       -3.249256    1.161577    2.349930
     18          8           0       -4.726990   -1.325156   -0.223619
     19          8           0       -3.202213   -0.855212   -1.757282
     20          1           0       -2.391116   -0.328302   -1.815758
     21          6           0        2.811014   -1.236817    0.299275
     22          6           0        3.349389    0.027072   -0.040677
     23          6           0        2.511206    1.099868   -0.246327
     24          8           0        4.681594    0.258681   -0.182443
     25          6           0        5.589463   -0.812553    0.016953
     26          1           0        1.048620   -2.363129    0.683601
     27          1           0        3.460822   -2.083374    0.461722
     28          1           0        2.940663    2.058592   -0.506194
     29          1           0        5.415680   -1.623094   -0.696322
     30          1           0        5.528037   -1.205433    1.035691
     31          1           0        6.580248   -0.396589   -0.147622
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3057598           0.2090469           0.1973322
 Leave Link  202 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.4648957289 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0209846794 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1134.4439110495 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               5.9 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  3.99D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               6.2 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer06_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:11 2021, MaxMem=  5368709120 cpu:               9.3 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -766.834590040279    
 DIIS: error= 3.94D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -766.834590040279     IErMin= 1 ErrMin= 3.94D-03
 ErrMax= 3.94D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-02 BMatP= 1.96D-02
 IDIUse=3 WtCom= 9.61D-01 WtEn= 3.94D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.291 Goal=   None    Shift=    0.000
 GapD=    0.291 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.92D-03 MaxDP=5.20D-01              OVMax= 1.64D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.92D-03    CP:  1.01D+00
 E= -766.850264710399     Delta-E=       -0.015674670120 Rises=F Damp=F
 DIIS: error= 5.66D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -766.850264710399     IErMin= 2 ErrMin= 5.66D-04
 ErrMax= 5.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.62D-04 BMatP= 1.96D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.66D-03
 Coeff-Com: -0.396D-03 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.394D-03 0.100D+01
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=1.33D-03 MaxDP=9.69D-02 DE=-1.57D-02 OVMax= 7.57D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.70D-04    CP:  1.03D+00  1.08D+00
 E= -766.850787880465     Delta-E=       -0.000523170066 Rises=F Damp=F
 DIIS: error= 6.88D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -766.850787880465     IErMin= 2 ErrMin= 5.66D-04
 ErrMax= 6.88D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.65D-04 BMatP= 6.62D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.88D-03
 Coeff-Com: -0.451D-01 0.489D+00 0.556D+00
 Coeff-En:   0.000D+00 0.959D-01 0.904D+00
 Coeff:     -0.448D-01 0.486D+00 0.559D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=1.40D-04 MaxDP=6.20D-03 DE=-5.23D-04 OVMax= 2.80D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.22D-04    CP:  1.03D+00  1.09D+00  1.04D+00
 E= -766.851174800820     Delta-E=       -0.000386920355 Rises=F Damp=F
 DIIS: error= 1.10D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -766.851174800820     IErMin= 4 ErrMin= 1.10D-04
 ErrMax= 1.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-05 BMatP= 5.65D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.10D-03
 Coeff-Com: -0.152D-01 0.885D-01 0.177D+00 0.750D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.152D-01 0.884D-01 0.177D+00 0.750D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=7.17D-05 MaxDP=2.59D-03 DE=-3.87D-04 OVMax= 9.92D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.64D-05    CP:  1.03D+00  1.09D+00  1.06D+00  1.16D+00
 E= -766.851193360704     Delta-E=       -0.000018559884 Rises=F Damp=F
 DIIS: error= 4.24D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -766.851193360704     IErMin= 5 ErrMin= 4.24D-05
 ErrMax= 4.24D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.35D-06 BMatP= 1.87D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.105D-02-0.340D-01-0.282D-01 0.234D+00 0.827D+00
 Coeff:      0.105D-02-0.340D-01-0.282D-01 0.234D+00 0.827D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=2.70D-05 MaxDP=1.13D-03 DE=-1.86D-05 OVMax= 5.78D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.92D-05    CP:  1.03D+00  1.09D+00  1.08D+00  1.21D+00  9.57D-01
 E= -766.851196468480     Delta-E=       -0.000003107777 Rises=F Damp=F
 DIIS: error= 1.41D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -766.851196468480     IErMin= 6 ErrMin= 1.41D-05
 ErrMax= 1.41D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-07 BMatP= 2.35D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-02-0.184D-01-0.210D-01 0.560D-01 0.330D+00 0.652D+00
 Coeff:      0.124D-02-0.184D-01-0.210D-01 0.560D-01 0.330D+00 0.652D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=6.69D-06 MaxDP=3.38D-04 DE=-3.11D-06 OVMax= 1.66D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.55D-06    CP:  1.03D+00  1.09D+00  1.08D+00  1.22D+00  9.93D-01
                    CP:  9.52D-01
 E= -766.851196766132     Delta-E=       -0.000000297652 Rises=F Damp=F
 DIIS: error= 5.61D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -766.851196766132     IErMin= 7 ErrMin= 5.61D-06
 ErrMax= 5.61D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.54D-08 BMatP= 2.64D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.394D-03-0.245D-02-0.469D-02-0.174D-01-0.194D-02 0.297D+00
 Coeff-Com:  0.729D+00
 Coeff:      0.394D-03-0.245D-02-0.469D-02-0.174D-01-0.194D-02 0.297D+00
 Coeff:      0.729D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=3.49D-06 MaxDP=1.27D-04 DE=-2.98D-07 OVMax= 1.18D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.23D-06    CP:  1.03D+00  1.09D+00  1.08D+00  1.22D+00  1.00D+00
                    CP:  9.66D-01  1.35D+00
 E= -766.851196854310     Delta-E=       -0.000000088178 Rises=F Damp=F
 DIIS: error= 2.39D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -766.851196854310     IErMin= 8 ErrMin= 2.39D-06
 ErrMax= 2.39D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.98D-09 BMatP= 5.54D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.951D-04 0.256D-02 0.258D-02-0.147D-01-0.604D-01-0.447D-01
 Coeff-Com:  0.224D+00 0.891D+00
 Coeff:     -0.951D-04 0.256D-02 0.258D-02-0.147D-01-0.604D-01-0.447D-01
 Coeff:      0.224D+00 0.891D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=1.37D-06 MaxDP=6.55D-05 DE=-8.82D-08 OVMax= 7.64D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.10D-07    CP:  1.03D+00  1.09D+00  1.08D+00  1.22D+00  1.00D+00
                    CP:  9.94D-01  1.44D+00  1.24D+00
 E= -766.851196870774     Delta-E=       -0.000000016464 Rises=F Damp=F
 DIIS: error= 9.13D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -766.851196870774     IErMin= 9 ErrMin= 9.13D-07
 ErrMax= 9.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-09 BMatP= 6.98D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.884D-04 0.139D-02 0.172D-02-0.407D-02-0.254D-01-0.614D-01
 Coeff-Com:  0.254D-02 0.408D+00 0.678D+00
 Coeff:     -0.884D-04 0.139D-02 0.172D-02-0.407D-02-0.254D-01-0.614D-01
 Coeff:      0.254D-02 0.408D+00 0.678D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=4.57D-07 MaxDP=1.76D-05 DE=-1.65D-08 OVMax= 2.20D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.20D-07    CP:  1.03D+00  1.09D+00  1.08D+00  1.22D+00  1.00D+00
                    CP:  9.90D-01  1.48D+00  1.24D+00  1.09D+00
 E= -766.851196873041     Delta-E=       -0.000000002267 Rises=F Damp=F
 DIIS: error= 3.24D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -766.851196873041     IErMin=10 ErrMin= 3.24D-07
 ErrMax= 3.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.76D-11 BMatP= 1.44D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.141D-04 0.575D-04 0.135D-03 0.872D-03 0.965D-03-0.109D-01
 Coeff-Com: -0.313D-01-0.116D-01 0.162D+00 0.890D+00
 Coeff:     -0.141D-04 0.575D-04 0.135D-03 0.872D-03 0.965D-03-0.109D-01
 Coeff:     -0.313D-01-0.116D-01 0.162D+00 0.890D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=2.27D-07 MaxDP=7.32D-06 DE=-2.27D-09 OVMax= 9.90D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.50D-07    CP:  1.03D+00  1.09D+00  1.08D+00  1.22D+00  1.00D+00
                    CP:  9.86D-01  1.49D+00  1.28D+00  1.17D+00  1.14D+00
 E= -766.851196873301     Delta-E=       -0.000000000260 Rises=F Damp=F
 DIIS: error= 1.21D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -766.851196873301     IErMin=11 ErrMin= 1.21D-07
 ErrMax= 1.21D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-11 BMatP= 9.76D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.833D-05-0.198D-03-0.222D-03 0.104D-02 0.439D-02 0.470D-02
 Coeff-Com: -0.140D-01-0.643D-01-0.346D-01 0.376D+00 0.727D+00
 Coeff:      0.833D-05-0.198D-03-0.222D-03 0.104D-02 0.439D-02 0.470D-02
 Coeff:     -0.140D-01-0.643D-01-0.346D-01 0.376D+00 0.727D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=6.80D-08 MaxDP=2.03D-06 DE=-2.60D-10 OVMax= 2.56D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.73D-08    CP:  1.03D+00  1.09D+00  1.08D+00  1.22D+00  1.00D+00
                    CP:  9.86D-01  1.49D+00  1.29D+00  1.19D+00  1.20D+00
                    CP:  1.07D+00
 E= -766.851196873279     Delta-E=        0.000000000022 Rises=F Damp=F
 DIIS: error= 3.87D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -766.851196873301     IErMin=12 ErrMin= 3.87D-08
 ErrMax= 3.87D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.69D-12 BMatP= 2.38D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.377D-05-0.612D-04-0.765D-04 0.198D-03 0.107D-02 0.266D-02
 Coeff-Com: -0.431D-04-0.154D-01-0.300D-01-0.426D-02 0.204D+00 0.842D+00
 Coeff:      0.377D-05-0.612D-04-0.765D-04 0.198D-03 0.107D-02 0.266D-02
 Coeff:     -0.431D-04-0.154D-01-0.300D-01-0.426D-02 0.204D+00 0.842D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=2.46D-08 MaxDP=1.24D-06 DE= 2.21D-11 OVMax= 8.79D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.83D-08    CP:  1.03D+00  1.09D+00  1.08D+00  1.22D+00  1.00D+00
                    CP:  9.86D-01  1.49D+00  1.28D+00  1.19D+00  1.22D+00
                    CP:  1.13D+00  1.01D+00
 E= -766.851196873316     Delta-E=       -0.000000000038 Rises=F Damp=F
 DIIS: error= 1.30D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -766.851196873316     IErMin=13 ErrMin= 1.30D-08
 ErrMax= 1.30D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.40D-13 BMatP= 1.69D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.432D-06-0.657D-06-0.285D-05-0.318D-04-0.750D-04 0.410D-03
 Coeff-Com:  0.120D-02 0.151D-02-0.626D-02-0.379D-01-0.147D-01 0.274D+00
 Coeff-Com:  0.782D+00
 Coeff:      0.432D-06-0.657D-06-0.285D-05-0.318D-04-0.750D-04 0.410D-03
 Coeff:      0.120D-02 0.151D-02-0.626D-02-0.379D-01-0.147D-01 0.274D+00
 Coeff:      0.782D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=1.04D-08 MaxDP=5.43D-07 DE=-3.75D-11 OVMax= 2.86D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.52D-09    CP:  1.03D+00  1.09D+00  1.08D+00  1.22D+00  1.00D+00
                    CP:  9.86D-01  1.49D+00  1.28D+00  1.18D+00  1.22D+00
                    CP:  1.16D+00  1.09D+00  9.05D-01
 E= -766.851196873290     Delta-E=        0.000000000026 Rises=F Damp=F
 DIIS: error= 5.46D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -766.851196873316     IErMin=14 ErrMin= 5.46D-09
 ErrMax= 5.46D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.79D-14 BMatP= 2.40D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.331D-06 0.813D-05 0.942D-05-0.414D-04-0.184D-03-0.202D-03
 Coeff-Com:  0.436D-03 0.279D-02 0.167D-02-0.145D-01-0.363D-01-0.449D-03
 Coeff-Com:  0.301D+00 0.746D+00
 Coeff:     -0.331D-06 0.813D-05 0.942D-05-0.414D-04-0.184D-03-0.202D-03
 Coeff:      0.436D-03 0.279D-02 0.167D-02-0.145D-01-0.363D-01-0.449D-03
 Coeff:      0.301D+00 0.746D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=3.84D-09 MaxDP=2.57D-07 DE= 2.61D-11 OVMax= 1.50D-07

 SCF Done:  E(RwB97XD) =  -766.851196873     A.U. after   14 cycles
            NFock= 14  Conv=0.38D-08     -V/T= 2.0108
 KE= 7.586716441957D+02 PE=-4.051145255712D+03 EE= 1.391178503594D+03
 Leave Link  502 at Fri Aug 13 10:54:45 2021, MaxMem=  5368709120 cpu:            3629.2 elap:             454.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.62790298D+02

 Leave Link  801 at Fri Aug 13 10:54:46 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9484 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 5.16D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 2.09D-01 9.62D-02.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 5.69D-02 1.28D-01.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 7.52D-03 3.55D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 1.81D-03 1.13D-02.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 2.27D-04 5.45D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 1.50D-05 7.25D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 9.35D-07 1.74D-04.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 4.81D-08 5.40D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 1.51D-09 8.76D-06.
     11 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 4.96D-11 1.28D-06.
     10 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 2.15D-12 1.99D-07.
      5 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 1.56D-13 3.84D-08.
      3 vectors produced by pass 13 Test12= 4.07D-13 8.33D-09 XBig12= 1.36D-13 2.47D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   139 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.294609D+03
      2 -0.171241D+02  0.174439D+03
      3 -0.789277D+01 -0.113019D+02  0.120237D+03
 Isotropic polarizability for W=    0.088559      196.43 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.361919D+03 -0.182483D+03  0.176318D+02
      2  -0.178476D+03  0.143417D+03 -0.489136D+02
      3  -0.183443D+03  0.390669D+02  0.312818D+02
      4  -0.108606D+03  0.984897D+02 -0.436701D+02
      5   0.771698D+02 -0.529657D+02 -0.544506D+02
      6  -0.181792D+02  0.148510D+02 -0.450339D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.596942D+01  0.198626D+02 -0.257822D+01
      2  -0.100304D+01 -0.157469D+02 -0.273143D+02
      3   0.128761D+03 -0.545700D+02  0.194459D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.929562D+01  0.637646D+02  0.435703D+02
      2  -0.595379D+02 -0.254909D+02  0.128992D+03
      3   0.738778D+02 -0.276966D+03  0.347865D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.474452D+00 -0.418656D+01 -0.168648D+02
      2  -0.418656D+01  0.365497D+00  0.197435D+01
      3  -0.168648D+02  0.197435D+01 -0.216156D+01
 OR G Eigenvalues:   -18.3207    -0.7004    16.7506  Iso=     0.7568
 Eigenvectors:
   (1)   0.694490   0.080048   0.715036
   (2)   0.133199   0.962310  -0.237102
   (3)   0.707066  -0.259907  -0.657652
 w=    0.088559 a.u., Optical Rotation Beta=      0.7568 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      166.67 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 4.79D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.45D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 3.71D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 5.35D-02 5.70D-02.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 5.54D-03 2.04D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.45D-04 2.63D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 5.66D-06 3.94D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 1.42D-07 4.09D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 2.14D-09 4.64D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 3.40D-11 4.82D-07.
     30 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 4.28D-13 6.22D-08.
      6 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 1.23D-14 7.65D-09.
      5 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 7.97D-14 3.18D-08.
      2 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 1.77D-14 8.25D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.11D-15
 Solved reduced A of dimension   283 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 1.86D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 1.86D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.77D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.294609D+03 -0.171241D+02 -0.789277D+01
      2  -0.171241D+02  0.174439D+03 -0.113019D+02
      3  -0.789277D+01 -0.113019D+02  0.120237D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.596942D+01  0.198626D+02 -0.257822D+01
      2  -0.100304D+01 -0.157469D+02 -0.273143D+02
      3   0.128761D+03 -0.545700D+02  0.194459D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.361919D+03 -0.182483D+03  0.176318D+02
      2  -0.178476D+03  0.143417D+03 -0.489136D+02
      3  -0.183443D+03  0.390669D+02  0.312818D+02
      4  -0.108606D+03  0.984897D+02 -0.436701D+02
      5   0.771698D+02 -0.529657D+02 -0.544506D+02
      6  -0.181792D+02  0.148510D+02 -0.450339D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.406370D+02  0.125290D+02 -0.922851D+00 -0.384928D+02  0.772395D+01
      2   0.125290D+02 -0.778786D+01  0.114128D+01  0.772395D+01 -0.594372D+01
      3  -0.922851D+00  0.114128D+01  0.323496D-01  0.893230D-01  0.803392D+00
                 6             7             8             9            10 
      1   0.893230D-01  0.121468D+02 -0.304919D+01 -0.104498D+01  0.379611D+02
      2   0.803392D+00 -0.304919D+01  0.158063D+01 -0.936242D+00 -0.123410D+02
      3  -0.199823D+00 -0.104498D+01 -0.936242D+00  0.656636D+00  0.844540D+00
                11            12            13            14            15 
      1  -0.123410D+02  0.844540D+00  0.416981D+02 -0.878809D+01  0.306485D-01
      2   0.408901D+01 -0.216097D+00 -0.878809D+01  0.814437D+01 -0.125885D+01
      3  -0.216097D+00  0.737537D-01  0.306485D-01 -0.125885D+01  0.234215D+00
                16            17            18            19            20 
      1  -0.124671D+02  0.321298D+01  0.846140D+00  0.408504D+02 -0.122148D+02
      2   0.321298D+01 -0.186697D+01  0.103297D+01 -0.122148D+02  0.113033D+02
      3   0.846140D+00  0.103297D+01 -0.500425D+00  0.105378D+01 -0.214673D+01
                21            22            23            24            25 
      1   0.105378D+01 -0.211245D+02  0.369492D+01 -0.378769D+00  0.367678D+01
      2  -0.214673D+01  0.369492D+01 -0.810186D+01  0.433521D+00 -0.662714D+00
      3   0.603273D+00 -0.378769D+00  0.433521D+00 -0.163292D+01 -0.461917D+00
                26            27            28            29            30 
      1  -0.662714D+00 -0.461917D+00 -0.466373D+02  0.651488D+01  0.162276D+00
      2  -0.323578D+00 -0.325002D+01  0.651488D+01 -0.462392D+01  0.980695D-01
      3  -0.325002D+01  0.217081D+01  0.162276D+00  0.980695D-01 -0.207449D+01
                31            32            33            34            35 
      1   0.841377D+01 -0.279642D+01 -0.120531D+01 -0.533618D+01 -0.948745D+00
      2  -0.279642D+01  0.172288D+02 -0.376113D+01 -0.948745D+00 -0.309639D+01
      3  -0.120531D+01 -0.376113D+01  0.851172D+00 -0.667915D+01  0.178595D+01
                36            37            38            39            40 
      1  -0.667915D+01 -0.367715D+01 -0.255679D+01  0.707826D+00  0.102253D+02
      2   0.178595D+01 -0.255679D+01 -0.137748D+02  0.317835D+01 -0.231084D+01
      3   0.148480D-01  0.707826D+00  0.317835D+01 -0.240237D+01 -0.840283D+00
                41            42            43            44            45 
      1  -0.231084D+01 -0.840283D+00 -0.263879D+01 -0.550445D+00 -0.526708D+01
      2  -0.664171D+01  0.277861D+01 -0.550445D+00  0.372298D+01  0.199316D+01
      3   0.277861D+01  0.700116D+00 -0.526708D+01  0.199316D+01 -0.920195D+00
                46            47            48            49            50 
      1   0.101271D+02  0.197448D+01 -0.856955D+00 -0.190091D-01 -0.315283D+01
      2   0.197448D+01  0.968834D+01 -0.174757D+01 -0.315283D+01  0.100829D+01
      3  -0.856955D+00 -0.174757D+01  0.181279D+01  0.116701D+01  0.138743D+01
                51            52            53            54            55 
      1   0.116701D+01 -0.252950D+00  0.109421D+01  0.108286D+01 -0.549002D+01
      2   0.138743D+01  0.109421D+01  0.136820D+01  0.401070D+01 -0.322600D+01
      3   0.678750D+00  0.108286D+01  0.401070D+01 -0.247324D+01  0.100943D+01
                56            57            58            59            60 
      1  -0.322600D+01  0.100943D+01 -0.634807D+00  0.362436D+01 -0.121043D+01
      2  -0.515811D+01  0.826584D+00  0.362436D+01 -0.302733D+01 -0.753433D+00
      3   0.826584D+00 -0.180521D+01 -0.121043D+01 -0.753433D+00 -0.686884D+00
                61            62            63            64            65 
      1   0.229663D+00 -0.118213D+01 -0.598085D+00 -0.175195D+01 -0.219330D+01
      2  -0.118213D+01 -0.832988D+00 -0.369102D+01 -0.219330D+01 -0.112487D+01
      3  -0.598085D+00 -0.369102D+01  0.242295D+01  0.595714D+00  0.304038D+00
                66            67            68            69            70 
      1   0.595714D+00 -0.288696D+01 -0.265653D+01  0.787622D+00  0.826727D+00
      2   0.304038D+00 -0.265653D+01 -0.522436D+01  0.128069D+01  0.773227D+00
      3  -0.400746D+00  0.787622D+00  0.128069D+01 -0.113421D+01 -0.334530D+00
                71            72            73            74            75 
      1   0.773227D+00 -0.334530D+00 -0.550346D+01  0.343056D+01 -0.460538D+00
      2   0.129318D+01 -0.388376D+00  0.343056D+01 -0.355944D+01  0.567069D+00
      3  -0.388376D+00  0.356067D+00 -0.460538D+00  0.567069D+00 -0.510042D+00
                76            77            78            79            80 
      1   0.389242D+01 -0.458754D+01  0.976901D+00 -0.543177D+00  0.102089D+01
      2  -0.458754D+01  0.648910D+01 -0.101049D+01  0.102089D+01 -0.120082D+01
      3   0.976901D+00 -0.101049D+01  0.888861D+00  0.306163D+00  0.420512D+00
                81            82            83            84            85 
      1   0.306163D+00  0.126047D+01  0.182656D+01 -0.503065D+00  0.804073D+00
      2   0.420512D+00  0.182656D+01  0.273275D+01 -0.700113D+00  0.185835D+01
      3  -0.324162D+00 -0.503065D+00 -0.700113D+00  0.464857D+00 -0.440772D+00
                86            87            88            89            90 
      1   0.185835D+01 -0.440772D+00 -0.284399D+00 -0.498415D+00  0.116168D+00
      2   0.960129D+01 -0.220589D+01 -0.498415D+00 -0.247542D+01  0.615551D+00
      3  -0.220589D+01  0.141622D+01  0.116168D+00  0.615551D+00 -0.403650D+00
                91            92            93            94            95 
      1   0.136244D+02 -0.184978D+01  0.332996D+00  0.430799D+01  0.123973D+01
      2  -0.184978D+01  0.168966D+01  0.731311D+00  0.123973D+01 -0.251965D+01
      3   0.332996D+00  0.731311D+00  0.262126D+01  0.660363D+00  0.218795D+01
                96            97            98            99           100 
      1   0.660363D+00 -0.335830D+01  0.143448D+01  0.740931D+01  0.840326D+01
      2   0.218795D+01  0.143448D+01  0.191500D+01 -0.167843D+00  0.321472D+00
      3   0.916283D+00  0.740931D+01 -0.167843D+00 -0.195769D+01 -0.190543D+01
               101           102           103           104           105 
      1   0.321472D+00 -0.190543D+01 -0.446892D+00 -0.187872D+01 -0.191466D+00
      2  -0.180196D+01 -0.356975D+00 -0.187872D+01 -0.940796D-02 -0.355624D+01
      3  -0.356975D+00 -0.209453D+01 -0.191466D+00 -0.355624D+01 -0.794827D+00
               106           107           108           109           110 
      1   0.552234D+01 -0.749926D+00 -0.499507D+01  0.558304D+01  0.364781D+01
      2  -0.749926D+00 -0.252733D+01 -0.153013D+00  0.364781D+01  0.162149D+01
      3  -0.499507D+01 -0.153013D+00  0.301177D+01 -0.167204D+01 -0.549070D+00
               111           112           113           114           115 
      1  -0.167204D+01  0.114937D+01  0.169812D+01 -0.132124D+01 -0.670602D+01
      2  -0.549070D+00  0.169812D+01  0.898848D+00 -0.112360D+01 -0.179806D+01
      3  -0.727668D+00 -0.132124D+01 -0.112360D+01 -0.111447D+00 -0.318116D+01
               116           117           118           119           120 
      1  -0.179806D+01 -0.318116D+01 -0.143077D+01  0.228479D+01 -0.888913D+00
      2  -0.169840D+01 -0.509439D-01  0.228479D+01 -0.195112D+01  0.100784D+00
      3  -0.509439D-01  0.345302D+00 -0.888913D+00  0.100784D+00 -0.128353D+01
               121           122           123           124           125 
      1   0.443786D+01 -0.212493D+01  0.243280D+00 -0.157235D+01  0.167337D+00
      2  -0.212493D+01  0.501996D+01 -0.117237D+01  0.167337D+00 -0.153554D+01
      3   0.243280D+00 -0.117237D+01  0.141032D+01 -0.155037D+01  0.108713D+01
               126           127           128           129           130 
      1  -0.155037D+01  0.487885D+00 -0.633360D+00  0.229977D+00 -0.193048D+01
      2   0.108713D+01 -0.633360D+00  0.945601D+00 -0.431064D+00  0.210967D+00
      3  -0.698023D+00  0.229977D+00 -0.431064D+00  0.159584D+01  0.392189D+00
               131           132           133           134           135 
      1   0.210967D+00  0.392189D+00  0.381995D+00 -0.995369D-02  0.359100D+00
      2  -0.321891D+01  0.210044D+01 -0.995369D-02  0.161483D+01 -0.129060D+01
      3   0.210044D+01 -0.273430D+01  0.359100D+00 -0.129060D+01  0.213580D+01
               136           137           138           139           140 
      1  -0.147050D+02  0.137704D+00  0.368540D+01 -0.676999D+00 -0.106615D+01
      2   0.137704D+00 -0.839638D+00 -0.220622D+00 -0.106615D+01 -0.115706D+00
      3   0.368540D+01 -0.220622D+00 -0.247445D+01  0.424689D-01  0.622326D+00
               141           142           143           144           145 
      1   0.424689D-01  0.148315D+01  0.129452D+00 -0.125540D+01 -0.245767D+00
      2   0.622326D+00  0.129452D+00  0.128147D+00 -0.652719D-01  0.760739D+00
      3  -0.179098D+00 -0.125540D+01 -0.652719D-01  0.367804D+00  0.631140D+00
               146           147           148           149           150 
      1   0.760739D+00  0.631140D+00  0.150983D+01  0.756879D-01 -0.451993D+00
      2   0.993214D+00  0.677196D+00  0.756879D-01  0.382715D+01  0.296845D+01
      3   0.677196D+00  0.151550D+01 -0.451993D+00  0.296845D+01  0.354439D+01
               151           152           153           154           155 
      1   0.253197D+00 -0.639668D-01  0.118717D+00 -0.155525D+02 -0.501149D+01
      2  -0.639668D-01  0.216094D+01  0.223072D+01 -0.501149D+01 -0.309622D+01
      3   0.118717D+00  0.223072D+01  0.356579D+01  0.113177D+01 -0.163130D+00
               156           157           158           159           160 
      1   0.113177D+01 -0.795714D+01 -0.579171D+01  0.697174D+00  0.175363D+01
      2  -0.163130D+00 -0.579171D+01 -0.511691D+01  0.667004D+00  0.798801D+00
      3  -0.247649D+01  0.697174D+00  0.667004D+00 -0.151994D+01 -0.230226D+01
               161           162           163           164           165 
      1   0.798801D+00 -0.230226D+01 -0.970746D+01 -0.324411D+01 -0.265546D+01
      2   0.129552D+01 -0.124110D+01 -0.324411D+01 -0.538093D+00 -0.485457D-01
      3  -0.124110D+01  0.181881D+01 -0.265546D+01 -0.485457D-01 -0.101393D+01
               166           167           168           169           170 
      1  -0.656674D+01 -0.136651D+01 -0.980329D+00  0.448972D+00  0.232887D+00
      2  -0.136651D+01 -0.124563D+01 -0.179341D+01  0.232887D+00 -0.449373D+00
      3  -0.980329D+00 -0.179341D+01 -0.231118D+01 -0.785886D+00 -0.140512D+01
               171           172           173           174           175 
      1  -0.785886D+00  0.924155D+01  0.280436D+01  0.103425D+01  0.799535D+01
      2  -0.140512D+01  0.280436D+01  0.993845D+00  0.520730D+00  0.158542D+01
      3  -0.665602D+01  0.103425D+01  0.520730D+00  0.247773D+01  0.137589D+01
               176           177           178           179           180 
      1   0.158542D+01  0.137589D+01  0.455962D+01  0.770693D+00  0.199178D+01
      2   0.616874D+00 -0.315097D+00  0.770693D+00 -0.857279D+00  0.661761D+00
      3  -0.315097D+00  0.164681D+01  0.199178D+01  0.661761D+00 -0.116635D+01
               181           182           183           184           185 
      1   0.451185D+01  0.243458D+01 -0.556986D+00 -0.138791D+02  0.450958D+01
      2   0.243458D+01  0.966358D+01 -0.231346D+01  0.450958D+01  0.326179D+01
      3  -0.556986D+00 -0.231346D+01  0.234458D+01  0.597561D+00 -0.212710D+01
               186           187           188           189           190 
      1   0.597561D+00  0.362055D+01 -0.491358D+00  0.405903D+01  0.373503D+02
      2  -0.212710D+01 -0.491358D+00 -0.284229D+01 -0.220422D+01 -0.853292D+01
      3  -0.701296D+00  0.405903D+01 -0.220422D+01  0.979441D+00  0.522712D+00
               191           192           193           194           195 
      1  -0.853292D+01  0.522712D+00 -0.473083D+01  0.284877D+01  0.127690D+01
      2   0.928695D+01 -0.118888D+01  0.284877D+01 -0.141741D+02  0.296908D+01
      3  -0.118888D+01  0.286974D+01  0.127690D+01  0.296908D+01 -0.815698D+00
               196           197           198           199           200 
      1  -0.336625D+00  0.144556D+01  0.653779D+01 -0.356798D+02  0.129078D+02
      2   0.144556D+01  0.213657D+01 -0.211016D+01  0.129078D+02 -0.933260D+01
      3   0.653779D+01 -0.211016D+01 -0.101844D+00 -0.104081D+01  0.181344D+01
               201           202           203           204           205 
      1  -0.104081D+01  0.193941D+02 -0.594093D+01  0.550887D+00 -0.234686D+01
      2   0.181344D+01 -0.594093D+01  0.826400D+01 -0.853921D-01  0.101320D+01
      3  -0.515391D+00  0.550887D+00 -0.853921D-01  0.152018D+01  0.365544D+00
               206           207           208           209           210 
      1   0.101320D+01  0.365544D+00 -0.931805D+01  0.495766D+01 -0.722387D+00
      2   0.832828D+00  0.427870D+01  0.495766D+01 -0.390316D+01  0.738451D+00
      3   0.427870D+01 -0.264942D+01 -0.722387D+00  0.738451D+00  0.107937D+00
               211           212           213           214           215 
      1  -0.502620D-01  0.268847D+01 -0.649500D+00  0.643664D+00 -0.876849D+00
      2   0.268847D+01  0.121940D+01 -0.476177D+00 -0.876849D+00  0.306753D+00
      3  -0.649500D+00 -0.476177D+00 -0.647962D+00  0.417602D+00  0.710986D+00
               216           217           218           219           220 
      1   0.417602D+00 -0.623787D+00 -0.444673D+01  0.104356D+01 -0.515205D+01
      2   0.710986D+00 -0.444673D+01  0.197805D+01  0.130701D+00 -0.110474D+01
      3  -0.207465D+00  0.104356D+01  0.130701D+00  0.625866D-01  0.499277D+00
               221           222           223           224           225 
      1  -0.110474D+01  0.499277D+00  0.103759D+01  0.460431D+00 -0.204970D+01
      2   0.227515D+01  0.195144D+01  0.460431D+00  0.145803D+01  0.377272D+01
      3   0.195144D+01  0.488685D+01 -0.204970D+01  0.377272D+01 -0.313089D+01
               226           227           228           229           230 
      1  -0.897496D+00 -0.160836D+01  0.441266D+00 -0.540486D+00 -0.127178D+01
      2  -0.160836D+01 -0.237007D+01  0.619320D+00 -0.127178D+01 -0.837447D+01
      3   0.441266D+00  0.619320D+00 -0.424040D+00  0.319854D+00  0.191995D+01
               231           232           233           234           235 
      1   0.319854D+00  0.203561D+00  0.428286D+00  0.339391D-02  0.656345D+01
      2   0.191995D+01  0.428286D+00  0.208842D+01 -0.549692D+00 -0.305479D+01
      3  -0.131715D+01  0.339391D-02 -0.549692D+00  0.372384D+00  0.321969D+00
               236           237           238           239           240 
      1  -0.305479D+01  0.321969D+00 -0.420299D+01  0.445265D+01 -0.972912D+00
      2   0.274312D+01 -0.424283D+00  0.445265D+01 -0.558127D+01  0.917375D+00
      3  -0.424283D+00  0.333930D+00 -0.972912D+00  0.917375D+00 -0.776666D+00
               241           242           243           244           245 
      1   0.518072D+00 -0.971633D+00 -0.278684D+00  0.200043D+01  0.281973D+01
      2  -0.971633D+00  0.112572D+01 -0.224986D+00  0.281973D+01  0.216655D+01
      3  -0.278684D+00 -0.224986D+00  0.245680D+00 -0.771779D+00 -0.604473D+00
               246           247           248           249           250 
      1  -0.771779D+00  0.342903D+01  0.348943D+01 -0.940249D+00 -0.927008D+00
      2  -0.604473D+00  0.348943D+01  0.689642D+01 -0.166265D+01 -0.940890D+00
      3   0.585201D+00 -0.940249D+00 -0.166265D+01  0.132971D+01  0.509584D+00
               251           252           253           254           255 
      1  -0.940890D+00  0.509584D+00 -0.623423D+00 -0.676273D-01 -0.819929D+00
      2  -0.175837D+01  0.447749D+00 -0.676273D-01 -0.583633D+00 -0.167662D-01
      3   0.447749D+00 -0.401374D+00 -0.819929D+00 -0.167662D-01 -0.488027D+00
               256           257           258           259           260 
      1  -0.234850D+01  0.244957D+01  0.119265D+01 -0.336993D+01  0.164075D+01
      2   0.244957D+01 -0.490195D+01 -0.267480D+01  0.164075D+01 -0.293680D+01
      3   0.119265D+01 -0.267480D+01 -0.267492D+01  0.179874D+01 -0.272633D+01
               261           262           263           264           265 
      1   0.179874D+01  0.131825D+00  0.170313D+00  0.112313D+01 -0.593106D+00
      2  -0.272633D+01  0.170313D+00 -0.419770D+00 -0.255383D+00  0.125972D+01
      3  -0.294257D+01  0.112313D+01 -0.255383D+00 -0.319513D-01 -0.104537D+01
               266           267           268           269           270 
      1   0.125972D+01 -0.104537D+01  0.478949D+01 -0.174350D+01  0.318776D+01
      2  -0.171097D+01  0.136266D+01 -0.174350D+01  0.183431D+01 -0.243982D+01
      3   0.136266D+01 -0.212377D+01  0.318776D+01 -0.243982D+01  0.632086D+01
               271           272           273           274           275 
      1   0.143839D+02  0.145861D+01 -0.109459D+01  0.497658D+01  0.142801D+01
      2   0.145861D+01  0.969808D+00 -0.641665D-01  0.142801D+01  0.115642D+01
      3  -0.109459D+01 -0.641665D-01  0.122153D+01 -0.271361D+00 -0.373695D+00
               276           277           278           279 
      1  -0.271361D+00 -0.195608D+01 -0.853987D-01  0.167461D+01
      2  -0.373695D+00 -0.853987D-01 -0.460518D+00 -0.153851D+00
      3   0.338199D+00  0.167461D+01 -0.153851D+00 -0.251629D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.243151D+01  0.258820D+01 -0.164184D+00  0.216671D+01 -0.746619D+00
      2   0.245506D+01  0.926559D+01 -0.132876D+01  0.680950D+01 -0.750542D+01
      3  -0.153031D+02  0.439778D+02 -0.102783D+02  0.196540D+02 -0.293122D+02
                 6             7             8             9            10 
      1  -0.248648D+00 -0.475862D+01  0.860484D+01 -0.196651D+01 -0.184428D+00
      2   0.189447D+01 -0.196284D+02  0.334979D+01  0.142391D+00 -0.252109D+00
      3   0.608883D+01  0.159123D+01  0.317834D+01 -0.452128D+00  0.328976D+02
                11            12            13            14            15 
      1   0.343120D+01 -0.127186D+01  0.172070D-01  0.822730D+00  0.159977D+00
      2   0.102009D+02 -0.572579D+01  0.515875D+01 -0.629605D+01  0.149635D+01
      3   0.369167D+02 -0.101408D+02  0.697102D+02 -0.342960D+02  0.433329D+01
                16            17            18            19            20 
      1  -0.455967D+01  0.739503D+01 -0.164094D+01 -0.346778D+01 -0.607588D+00
      2  -0.214952D+02  0.311845D+01  0.523996D+00 -0.527106D+01 -0.776307D+01
      3  -0.139201D+02  0.509446D+01 -0.491233D+00  0.134303D+02 -0.401670D+02
                21            22            23            24            25 
      1   0.188962D+00 -0.771391D+00 -0.121506D+00 -0.882708D+00 -0.587674D+01
      2   0.107729D+01 -0.276048D+01  0.318054D+01  0.700422D+00 -0.188777D+02
      3   0.958701D+01 -0.955057D+01  0.617754D+01 -0.242623D+01  0.779099D+01
                26            27            28            29            30 
      1   0.305385D+01 -0.107332D+01 -0.359932D+00  0.149686D+01  0.632525D+00
      2   0.826257D+01 -0.189538D+01 -0.546876D+00  0.299572D+01  0.722846D+00
      3  -0.246542D+01 -0.175007D+01 -0.365876D+02  0.129806D+02 -0.182191D+01
                31            32            33            34            35 
      1   0.498231D+01  0.505128D+01 -0.229055D+00  0.431791D+01  0.129729D+02
      2   0.361647D+01 -0.171799D+01  0.187336D+00 -0.118638D+02  0.138169D+01
      3   0.324004D+02 -0.109842D+02 -0.140393D+00 -0.541447D+01 -0.117140D+01
                36            37            38            39            40 
      1  -0.259609D+01 -0.316618D+00  0.537772D+00  0.519973D+01  0.295550D+01
      2   0.405977D+00 -0.454194D+01  0.161643D+01  0.104383D+01 -0.253110D+01
      3  -0.368719D+01 -0.177720D+02  0.601898D+01 -0.162150D+01  0.866966D+01
                41            42            43            44            45 
      1  -0.482036D+00 -0.166860D+01  0.182050D+02  0.425523D+01 -0.148327D+01
      2  -0.286662D+01 -0.111031D+01 -0.810036D+01 -0.753234D+01  0.214712D+01
      3  -0.133999D+01 -0.123643D+01 -0.257259D+01 -0.314416D+00 -0.757183D+01
                46            47            48            49            50 
      1   0.504816D+00 -0.278581D+01 -0.436570D+01 -0.302505D+01 -0.296910D+00
      2   0.663282D+01 -0.794064D+01  0.203989D+01 -0.612444D+01  0.728045D+01
      3   0.359875D+02 -0.332194D+02  0.676986D+01 -0.775148D+01  0.268519D+02
                51            52            53            54            55 
      1  -0.251104D+01 -0.979406D+01 -0.517904D+01  0.381826D+01  0.632102D+00
      2  -0.149648D+01 -0.155515D+02  0.412231D-01  0.191548D+01  0.726681D+01
      3  -0.448993D+01  0.477154D+01 -0.322592D+01  0.609873D+01  0.343695D+02
                56            57            58            59            60 
      1  -0.409652D+01 -0.313571D+01 -0.162622D+01  0.630969D+00 -0.149217D+01
      2  -0.907474D+01 -0.244939D+01 -0.693226D+01  0.648665D+01 -0.260057D+01
      3  -0.347592D+02  0.853824D+01 -0.602635D+01  0.339411D+02 -0.476917D+01
                61            62            63            64            65 
      1  -0.830320D+01 -0.307302D+01  0.189101D+01 -0.291968D+00 -0.549936D+00
      2  -0.210373D+02 -0.308607D+01  0.567315D+01  0.843799D+00  0.655509D+00
      3   0.625553D+01 -0.266578D+01  0.111259D+02  0.723949D+00 -0.251178D+00
                66            67            68            69            70 
      1  -0.133018D+01 -0.796782D+00 -0.158993D+01 -0.282086D+01 -0.802411D+00
      2   0.276276D+00  0.114280D+01 -0.537902D+00  0.177705D+01 -0.207885D+01
      3   0.108521D+00  0.314152D+01 -0.547832D+01  0.131053D+01 -0.222465D+00
                71            72            73            74            75 
      1   0.245737D+01  0.386119D+00 -0.347465D+00  0.311343D+00  0.246987D+01
      2  -0.946429D+00  0.810953D-01 -0.149327D+01  0.118353D+00  0.179254D+01
      3   0.139769D+01  0.441322D+00 -0.987643D+01  0.151988D+01 -0.201339D+00
                76            77            78            79            80 
      1  -0.128973D+01  0.333155D+00 -0.367664D+01 -0.307669D+01  0.108752D+01
      2  -0.371001D+00  0.340552D+00 -0.241934D+01 -0.201477D+01 -0.179183D+00
      3   0.411237D+01  0.765407D+00  0.752679D+00  0.436762D+00 -0.191106D+00
                81            82            83            84            85 
      1   0.688338D+00  0.646230D+00  0.338497D+00 -0.186903D+01  0.637830D+00
      2   0.827558D+00  0.125510D+01  0.674655D+00  0.638511D+00  0.101437D+01
      3   0.136019D+01  0.592704D+01  0.293077D+01 -0.123762D+01  0.508678D+01
                86            87            88            89            90 
      1   0.122207D+01 -0.516875D+01  0.127856D+01  0.215712D+01  0.639509D+00
      2   0.109308D+01  0.990039D+00 -0.913174D+00  0.355323D+00 -0.668142D+00
      3   0.364169D+01 -0.144983D+01 -0.139808D+01 -0.159188D+01 -0.516958D+00
                91            92            93            94            95 
      1   0.252611D+01  0.887307D+00 -0.150559D+01  0.565080D+01  0.466637D+00
      2  -0.434775D+01 -0.177350D+01 -0.554102D+01 -0.193639D+01 -0.992009D+01
      3   0.119022D+02  0.101659D+01  0.196132D+01  0.219987D+02 -0.145588D+02
                96            97            98            99           100 
      1  -0.221653D+01 -0.188185D+01  0.525756D+01  0.983183D+00  0.361889D+01
      2  -0.150422D+01 -0.326736D+02  0.105791D+01  0.547833D+01 -0.993555D+01
      3   0.961848D+01 -0.839789D+00  0.132792D+02  0.698339D+01  0.523476D+01
               101           102           103           104           105 
      1  -0.636848D+01  0.871826D+00 -0.246595D+01  0.519173D+00 -0.117066D+02
      2  -0.949287D+00  0.160805D+02 -0.273503D+01  0.188257D+02  0.300863D+01
      3  -0.141760D+02 -0.216387D+00 -0.836580D+01  0.171875D+01 -0.157991D+02
               106           107           108           109           110 
      1   0.296261D+01 -0.613863D+01 -0.352760D+01 -0.376564D+01  0.195391D+01
      2   0.173890D+02 -0.187111D+00 -0.649028D+01  0.104517D+02  0.574612D+01
      3   0.663164D+01 -0.149037D+02 -0.493887D+01 -0.747957D+01  0.699412D+01
               111           112           113           114           115 
      1   0.955773D+01 -0.854893D+01 -0.727022D+01 -0.499973D+01  0.905557D+01
      2   0.325095D+01  0.676878D+01  0.496181D+01 -0.999854D+01  0.495781D+01
      3  -0.778754D+01  0.692633D+01  0.183161D+02 -0.407977D+01 -0.145743D+02
               116           117           118           119           120 
      1   0.177469D+01  0.510542D+01  0.136438D+01 -0.932887D+00  0.110680D+01
      2  -0.281863D+01  0.346504D+01  0.394884D+01 -0.131866D+01  0.553369D+01
      3  -0.891082D+01 -0.364863D+01  0.897248D+01 -0.698885D+01  0.541619D-01
               121           122           123           124           125 
      1  -0.116502D+01  0.168641D+01 -0.278030D+01  0.100094D+01 -0.207251D+00
      2  -0.162446D+01  0.524692D+01 -0.543117D+01  0.341957D+01 -0.388469D+01
      3  -0.723535D+00  0.180122D+02 -0.458045D+01 -0.110892D+01 -0.630408D+01
               126           127           128           129           130 
      1   0.775005D+00 -0.260689D+01  0.322247D+01 -0.849241D+00  0.137476D+01
      2   0.273571D+01 -0.420307D+01  0.374183D+01 -0.601386D+01  0.355085D+01
      3   0.265523D+01 -0.493905D+01  0.444796D+01 -0.209083D+01  0.364463D+01
               131           132           133           134           135 
      1  -0.886286D+01  0.337772D+01 -0.286397D+00  0.517060D+01 -0.292448D+01
      2  -0.991899D+01  0.993290D+01 -0.295857D+01  0.512282D+01 -0.879290D+01
      3  -0.134036D+02  0.880088D+01 -0.967295D-01  0.594802D+01 -0.539981D+01
               136           137           138           139           140 
      1  -0.251638D+01 -0.269037D+01  0.708430D+00 -0.234044D+01 -0.108901D+01
      2   0.967411D+01  0.834205D+00  0.755964D+01  0.840501D+00 -0.608322D+00
      3  -0.719965D+01 -0.626335D+01  0.104864D+01 -0.396590D+01 -0.130951D+01
               141           142           143           144           145 
      1   0.360920D+00  0.132973D+00  0.135666D+01 -0.393335D+00  0.164532D+01
      2   0.111072D+01  0.111071D+01  0.102969D+01  0.845822D+00 -0.394643D+01
      3   0.219299D+01 -0.181919D+00  0.261556D+01 -0.137711D+01  0.316217D+01
               146           147           148           149           150 
      1   0.297460D+01  0.147981D+00  0.173239D+01  0.774503D+01  0.258500D+01
      2  -0.391067D+01 -0.634696D+01 -0.224286D+01 -0.123532D+02 -0.128263D+02
      3   0.439461D+01  0.245657D+01  0.362515D+01  0.141304D+02  0.103785D+02
               151           152           153           154           155 
      1  -0.391972D+00  0.512673D+01  0.262241D+01  0.390152D+01  0.111720D+00
      2  -0.350328D+01 -0.873782D+01 -0.135314D+02 -0.113403D+02 -0.211018D+01
      3  -0.397325D+00  0.790153D+01  0.814007D+01 -0.717425D+01 -0.202296D+02
               156           157           158           159           160 
      1  -0.688176D+01  0.597116D+01  0.459308D+01 -0.526001D+01 -0.417558D+01
      2   0.183541D+02 -0.218694D+01 -0.550845D+01  0.124325D+02  0.612108D+01
      3   0.107087D+00 -0.173487D+02 -0.269874D+02  0.203839D+01  0.400510D+01
               161           162           163           164           165 
      1   0.833483D+00  0.263487D+01  0.539704D+01  0.285797D+01 -0.310906D+01
      2   0.441865D+01 -0.106112D+02 -0.101761D+02 -0.571392D+01  0.230787D+01
      3   0.610001D+01 -0.300219D+01 -0.805235D+01 -0.427976D+01  0.165575D+01
               166           167           168           169           170 
      1   0.810098D+01  0.529625D+01  0.390151D+00 -0.147701D+01  0.599409D+01
      2  -0.980512D+01  0.427108D+01  0.898457D+01 -0.198199D+01  0.461756D+01
      3  -0.122060D+01 -0.617609D+01 -0.928845D+01  0.447997D+01 -0.242021D+01
               171           172           173           174           175 
      1  -0.417529D+01 -0.801734D+01 -0.375146D+01  0.119739D+01 -0.968345D+01
      2   0.210559D+02  0.188374D+02  0.446975D+01 -0.663618D+01  0.976368D+01
      3  -0.483931D+01  0.246027D+01  0.294695D+01  0.248384D+01  0.941497D+01
               176           177           178           179           180 
      1  -0.410202D+01 -0.108371D+01  0.130753D+00  0.310141D+00 -0.141778D+01
      2   0.407436D+01 -0.477329D+01 -0.305899D+01 -0.109502D+01  0.576314D+01
      3   0.181587D+01  0.122173D+01  0.294079D+01  0.113956D+01  0.719949D+00
               181           182           183           184           185 
      1   0.338876D+00  0.328063D+01  0.386744D+01  0.262944D+01  0.868093D+00
      2  -0.548973D+01  0.160167D+01  0.608719D+01 -0.360970D+01 -0.591249D+01
      3  -0.205351D+02  0.539240D+01 -0.192525D+01 -0.195448D+02 -0.778899D+01
               186           187           188           189           190 
      1  -0.222336D+01  0.115791D+02  0.490415D+01 -0.229189D+01 -0.125119D+01
      2  -0.954361D+00 -0.403950D+01 -0.989524D+01  0.228429D+01 -0.355016D+01
      3   0.375424D+01  0.644537D+01  0.380601D+01 -0.133286D+01  0.117881D+02
               191           192           193           194           195 
      1   0.288113D+01 -0.247322D+01  0.230033D+01  0.131819D+01  0.204308D+01
      2   0.509998D+01 -0.230390D+01  0.101748D+02 -0.134070D+01 -0.875306D+00
      3   0.164400D+02 -0.386628D+01  0.374544D+02 -0.545969D+01  0.232129D+00
               196           197           198           199           200 
      1  -0.948436D+00  0.141649D+02 -0.384414D+01 -0.546963D+00 -0.303286D+01
      2  -0.469895D+00  0.174465D+01 -0.169350D+00 -0.354513D+01 -0.669872D+01
      3  -0.100465D+02  0.223673D+00  0.534573D+01 -0.363045D+02 -0.273184D+02
               201           202           203           204           205 
      1   0.113941D+01 -0.245447D+01  0.186373D+01 -0.291449D+01 -0.764628D+01
      2   0.466718D+01 -0.446656D+01  0.816942D+01  0.648990D+00 -0.148930D+02
      3   0.745734D+01  0.104300D+02  0.837269D+01 -0.545809D+01  0.360741D+01
               206           207           208           209           210 
      1   0.269436D+01  0.590180D+00  0.114941D+01 -0.247232D+01  0.318320D+01
      2   0.166569D+02 -0.640179D+01  0.180684D+01 -0.682464D+01  0.147665D+02
      3  -0.734005D+01 -0.770505D+01 -0.236623D+01 -0.394122D+02  0.601394D+01
               211           212           213           214           215 
      1   0.344535D+00 -0.175857D+01 -0.444841D+01  0.131228D+01 -0.134589D+01
      2  -0.218515D+01 -0.249932D+01 -0.413126D+01 -0.463891D+01  0.334941D+01
      3  -0.286220D+01 -0.624505D+01  0.233272D+01  0.185760D+01  0.279632D+01
               216           217           218           219           220 
      1   0.114760D+01  0.685001D+00  0.996476D+00 -0.867607D+00 -0.922989D+00
      2  -0.101636D+01  0.764846D+01  0.342057D+01 -0.750411D+00  0.431651D+01
      3  -0.405735D+01  0.355955D+02  0.303413D+01 -0.484383D+01  0.182272D+02
               221           222           223           224           225 
      1   0.238384D+01  0.588979D+01 -0.105262D+02  0.860049D+01 -0.407985D+01
      2   0.848891D+01  0.308309D+02 -0.159379D+02  0.242897D+02 -0.198983D+02
      3  -0.286324D+02 -0.993957D+01 -0.480816D+01 -0.749724D+01 -0.242624D+02
               226           227           228           229           230 
      1   0.132173D+00 -0.279614D+00 -0.150795D+01  0.691220D-01 -0.826941D+00
      2   0.205990D+01  0.168528D+01 -0.281360D+00  0.149150D+01  0.421746D+01
      3   0.765721D+01  0.547373D+01 -0.180379D+01  0.571589D+01  0.163505D+02
               231           232           233           234           235 
      1  -0.403274D+01  0.884165D+00  0.283100D+01  0.302044D+00 -0.977934D+00
      2  -0.131756D+01 -0.425708D+00 -0.104597D+01  0.124055D+00 -0.261874D+01
      3  -0.422763D+01 -0.205221D+01 -0.441990D+01  0.493824D+00 -0.597263D+01
               236           237           238           239           240 
      1   0.648403D+00  0.148203D+01 -0.321852D+00 -0.608603D+00 -0.274021D+01
      2  -0.150891D+00  0.151569D+01 -0.144571D+01  0.161976D+01 -0.318155D+01
      3  -0.396575D+01  0.990772D+00 -0.521754D+01  0.126435D+02 -0.157376D+01
               241           242           243           244           245 
      1  -0.251367D+01  0.128264D+01  0.499296D+00  0.122804D+00 -0.123869D+00
      2  -0.216478D+01 -0.221375D+00  0.114658D+01 -0.128326D+01 -0.975606D+00
      3   0.258148D+01 -0.258912D+01  0.144343D+01 -0.387452D+01 -0.372420D+01
               246           247           248           249           250 
      1  -0.149742D+01  0.187670D+00 -0.333975D+00 -0.350839D+01 -0.116691D+00
      2   0.207250D+01 -0.127576D+01 -0.389530D+01  0.439368D+01 -0.126021D+01
      3   0.839671D+00 -0.223427D+01 -0.166594D+02  0.367374D+01  0.112997D+01
               251           252           253           254           255 
      1   0.185106D+01  0.541753D+00  0.185014D+00 -0.167235D+00 -0.109661D+01
      2   0.557299D+00 -0.891988D+00 -0.569134D+01 -0.272078D+00 -0.207352D+01
      3   0.425696D+01 -0.458974D+00  0.246592D+01  0.263934D+01  0.113734D+01
               256           257           258           259           260 
      1   0.114788D+01 -0.153007D+01 -0.464489D+01  0.234284D+01 -0.116414D+01
      2   0.440577D+01 -0.133676D+02 -0.154647D+02  0.706774D+01 -0.153575D+02
      3  -0.105579D+02  0.322032D+02  0.147080D+02 -0.562988D+01  0.178807D+02
               261           262           263           264           265 
      1  -0.425992D+01  0.353520D+00 -0.270223D+00 -0.427198D+00 -0.728935D+00
      2  -0.158588D+02  0.766355D+01 -0.160728D+01  0.240365D+00 -0.523926D+01
      3   0.157034D+02 -0.182263D+00  0.993999D+00  0.602071D+00 -0.639165D+01
               266           267           268           269           270 
      1   0.962536D+00 -0.303702D+01  0.372297D+01 -0.328485D-01  0.740057D+01
      2   0.810021D+01 -0.127614D+02  0.138812D+02 -0.149963D+02  0.370962D+02
      3   0.132607D+02 -0.841013D+01  0.657349D+01 -0.128002D+02  0.149020D+02
               271           272           273           274           275 
      1  -0.984203D+00 -0.389317D+00  0.598987D+00 -0.178189D+00 -0.491808D+00
      2  -0.626075D+01 -0.694818D+00  0.954465D+01 -0.158209D+01 -0.210846D+01
      3  -0.203995D+02 -0.105863D+02  0.167524D+01 -0.111478D+02 -0.812852D+01
               276           277           278           279 
      1  -0.632599D+00  0.165399D+01  0.227150D+00 -0.311661D-02
      2   0.245775D+01  0.831728D+01 -0.811335D+00 -0.153778D+01
      3   0.248367D+01  0.216451D+01  0.319330D+01  0.787420D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.904719D+02  0.561417D+02 -0.920801D+01 -0.799324D+02 -0.166506D+01
      2   0.501300D+02 -0.366939D+02  0.599179D+01  0.449576D+02  0.280112D+01
      3   0.403419D+02 -0.194478D+02  0.321622D+01  0.349749D+02 -0.113606D+01
      4   0.557825D+02 -0.540152D+01 -0.146943D+01 -0.757252D+01 -0.320249D+01
      5  -0.182226D+02  0.390700D+00  0.156550D+01 -0.268892D+01  0.300512D+01
      6   0.708188D+00  0.181239D+01 -0.745094D-01  0.240127D+01 -0.291002D+01
                 6             7             8             9            10 
      1   0.242309D+01  0.250075D+02 -0.599474D+01 -0.107134D+02  0.992176D+02
      2  -0.372654D+01 -0.126677D+02  0.226959D+01 -0.106601D+01 -0.472098D+02
      3   0.130345D+01 -0.123398D+02  0.372515D+01  0.117794D+02 -0.520078D+02
      4   0.166198D+01 -0.175359D+01  0.109067D+01  0.894066D+00 -0.207159D+02
      5   0.184264D+00  0.165729D+01 -0.188582D+01  0.641068D+00  0.793704D+01
      6   0.107194D+01  0.144952D+01  0.274195D+01  0.254694D+01 -0.659576D+01
                11            12            13            14            15 
      1  -0.945554D+01 -0.473269D+01  0.819475D+02 -0.341596D+02  0.185011D+01
      2   0.404010D+01  0.224517D+01 -0.400029D+02  0.278197D+02 -0.521083D+01
      3   0.541544D+01  0.248751D+01 -0.419445D+02  0.633994D+01  0.336071D+01
      4   0.659689D+01 -0.195348D+01 -0.172893D+02  0.133124D+02 -0.173179D+01
      5  -0.669324D+01 -0.529530D+01  0.875758D+01 -0.247816D+01  0.768699D+00
      6   0.278977D+01  0.126254D+01 -0.242824D+01 -0.314677D+01  0.587987D+00
                16            17            18            19            20 
      1  -0.269063D+02  0.732885D+01 -0.783361D+01  0.570578D+02 -0.596483D+02
      2   0.136189D+02 -0.619538D+01 -0.686311D+00 -0.331212D+02  0.449491D+02
      3   0.132874D+02 -0.113346D+01  0.851992D+01 -0.239366D+02  0.146992D+02
      4   0.629488D+01 -0.261794D+01  0.264596D+01 -0.516213D+02  0.385292D+01
      5  -0.188860D+01  0.288629D+01  0.678563D+00  0.198400D+02 -0.843755D+00
      6   0.387606D+01  0.430514D+01  0.198644D+01 -0.119410D+01 -0.244829D+01
                21            22            23            24            25 
      1   0.109048D+02  0.463575D+01  0.338035D+02 -0.835791D+01 -0.480580D+01
      2  -0.828661D+01 -0.137979D+02 -0.343962D+02  0.868615D+01  0.651460D+01
      3  -0.261821D+01  0.916211D+01  0.592678D+00 -0.328238D+00 -0.170880D+01
      4   0.467827D+00  0.229907D+02 -0.500483D+01  0.379032D+01 -0.371726D+01
      5  -0.454855D+01 -0.975876D+01  0.584050D+01  0.590485D+01  0.393737D+01
      6   0.147266D+01  0.855436D+01  0.903692D+01  0.609844D+00  0.139453D+01
                26            27            28            29            30 
      1  -0.381276D+01 -0.675862D+01  0.187691D+01  0.623956D+01  0.123582D+01
      2   0.834383D+01 -0.806696D+01 -0.152674D+02 -0.868338D+01 -0.193570D+00
      3  -0.453107D+01  0.148256D+02  0.133905D+02  0.244382D+01 -0.104225D+01
      4   0.599497D+01  0.260047D+01  0.176562D+02  0.113146D+02  0.118634D+00
      5   0.954024D+01 -0.272695D+01 -0.174402D+02  0.287224D+01  0.939224D+01
      6   0.433015D+01  0.645329D+00  0.104131D+02 -0.105780D+00 -0.232570D+01
                31            32            33            34            35 
      1   0.251809D+02 -0.738372D+02  0.144693D+02 -0.449922D+01  0.166570D+02
      2  -0.177582D+02  0.699447D+02 -0.179712D+02  0.100938D+01 -0.172175D+02
      3  -0.742273D+01  0.389249D+01  0.350194D+01  0.348984D+01  0.560505D+00
      4  -0.410637D+02  0.211961D+01  0.306509D+01  0.222188D+02  0.139115D+01
      5   0.165355D+02  0.176645D+01 -0.130066D+01  0.322606D+02 -0.602288D+01
      6   0.214768D+01 -0.106063D+02  0.845812D+00 -0.538466D+01  0.731538D+01
                36            37            38            39            40 
      1  -0.256291D+01 -0.660829D+01  0.712671D+02 -0.171238D+02 -0.189326D+02
      2  -0.497290D+01  0.690399D+00 -0.607417D+02  0.111747D+02  0.199672D+02
      3   0.753581D+01  0.591789D+01 -0.105254D+02  0.594906D+01 -0.103462D+01
      4   0.278402D+01  0.453123D+01 -0.198921D+02  0.355421D+01  0.136215D+02
      5  -0.165654D+00 -0.403865D+00 -0.557905D+00  0.394223D+01  0.524033D+01
      6   0.530401D+01 -0.321056D+01  0.769550D+01 -0.109004D+02 -0.138094D+02
                41            42            43            44            45 
      1   0.357853D+02 -0.121201D+02  0.672187D+01 -0.171782D+02 -0.100765D+02
      2  -0.371949D+02  0.110982D+02 -0.140246D+02  0.196085D+02  0.115767D+01
      3   0.140966D+01  0.102189D+01  0.730271D+01 -0.243036D+01  0.891888D+01
      4   0.811199D+01 -0.779513D+01  0.205778D+01 -0.580605D+01 -0.987222D+01
      5  -0.875269D+01 -0.438328D+01  0.204147D+02 -0.668626D+01  0.531086D+01
      6   0.116141D+02  0.208567D+01 -0.203079D+02  0.121678D+02  0.403312D+00
                46            47            48            49            50 
      1   0.888528D+01 -0.518175D+02  0.101887D+02  0.162691D+02 -0.125834D+00
      2  -0.714405D+01  0.458795D+02 -0.586439D+01 -0.141913D+02 -0.517408D+01
      3  -0.174123D+01  0.593798D+01 -0.432435D+01 -0.207782D+01  0.529992D+01
      4   0.736748D+01 -0.473576D+01  0.171664D+01  0.857941D+00 -0.961937D+01
      5  -0.345110D+00  0.577808D+01 -0.208029D+01  0.338088D+00  0.233392D+01
      6   0.430062D+01 -0.292831D+01  0.802719D+01  0.386514D+01  0.132951D+02
                51            52            53            54            55 
      1  -0.720626D+01 -0.500719D+01 -0.344920D+01 -0.229622D+02  0.239047D+01
      2   0.906892D+01  0.761424D+01  0.140198D+02  0.103567D+02 -0.465479D+01
      3  -0.186267D+01 -0.260705D+01 -0.105706D+02  0.126055D+02  0.226432D+01
      4   0.501358D+01  0.200618D+01  0.703582D+01  0.672762D+01 -0.399296D+02
      5   0.136133D+00  0.434403D+01  0.132869D+01 -0.860848D+00  0.779924D+01
      6   0.312026D+01  0.527759D+01  0.226783D+02 -0.816187D+01  0.368419D+01
                56            57            58            59            60 
      1  -0.564878D+02  0.115570D+02  0.177908D+01  0.235235D+02 -0.112327D+02
      2   0.374693D+02 -0.462305D+01 -0.479945D+01 -0.187186D+02  0.948957D+01
      3   0.190185D+02 -0.693391D+01  0.302037D+01 -0.480491D+01  0.174312D+01
      4  -0.279990D+02  0.689223D+01  0.315161D+02 -0.171065D+02  0.120783D+00
      5   0.788159D+01 -0.114381D+02 -0.821670D+01  0.493756D+00 -0.980504D+00
      6  -0.166484D+01  0.658497D+01  0.265769D+01  0.105457D+02  0.171203D+01
                61            62            63            64            65 
      1  -0.171618D+01 -0.756222D+01 -0.204589D+02  0.254167D+01 -0.891886D+00
      2   0.367464D+01  0.147658D+02  0.424948D+01 -0.658473D+00  0.174958D+01
      3  -0.195846D+01 -0.720353D+01  0.162094D+02 -0.188320D+01 -0.857691D+00
      4  -0.552685D+01  0.275823D+01 -0.870539D+01  0.696774D+01  0.891866D+01
      5   0.689499D+00 -0.111178D+02  0.796821D+01 -0.218870D+01 -0.224568D+01
      6   0.204244D+01  0.166470D+02 -0.565517D+01 -0.139339D+01 -0.132563D+01
                66            67            68            69            70 
      1   0.267236D+00 -0.372184D+01 -0.155166D+02  0.426311D+01  0.669331D+00
      2   0.240552D+00  0.509551D+01  0.170656D+02 -0.183402D+01 -0.451383D-01
      3  -0.507787D+00 -0.137366D+01 -0.154900D+01 -0.242909D+01 -0.624193D+00
      4  -0.169784D+01  0.116386D+02  0.164333D+02 -0.355619D+01 -0.270885D+01
      5   0.264182D+01 -0.336584D+01 -0.375027D+01  0.365743D+01  0.198668D+01
      6   0.120892D+01 -0.280880D+01 -0.671971D+01  0.533105D+01  0.215389D+01
                71            72            73            74            75 
      1   0.295355D+01 -0.324984D+01  0.225482D+01  0.549623D+01 -0.106367D+01
      2  -0.261857D+01  0.248958D+01  0.963655D+01 -0.157110D+02  0.182823D+01
      3  -0.334973D+00  0.760265D+00 -0.118914D+02  0.102148D+02 -0.764562D+00
      4  -0.417665D+01  0.227268D+01 -0.277864D+02  0.244482D+02 -0.372196D+01
      5   0.625235D+00 -0.155412D+01  0.403921D+01 -0.383081D+01  0.402913D+01
      6   0.307816D+01 -0.256247D+01 -0.262214D+01  0.307024D+01 -0.369162D+01
                76            77            78            79            80 
      1   0.982743D+01 -0.213172D+02  0.371811D+01 -0.255761D+01  0.430780D+01
      2  -0.215886D+02  0.376909D+02 -0.460825D+01  0.541650D+01 -0.656037D+01
      3   0.117612D+02 -0.163737D+02  0.890133D+00 -0.285889D+01  0.225257D+01
      4   0.274375D+02 -0.341269D+02  0.546161D+01 -0.505074D+01  0.590748D+01
      5  -0.523083D+01  0.556691D+01 -0.436842D+01  0.555079D+00 -0.277798D+01
      6   0.590337D+01 -0.695346D+01  0.689414D+01  0.813263D+00  0.367821D+01
                81            82            83            84            85 
      1  -0.110809D+01 -0.628816D+01 -0.110215D+02  0.313490D+01 -0.804289D+01
      2   0.211579D+01  0.935881D+01  0.162034D+02 -0.319935D+01  0.109556D+02
      3  -0.100770D+01 -0.307065D+01 -0.518185D+01  0.644488D-01 -0.291271D+01
      4  -0.284419D+01  0.839304D+01  0.162736D+02 -0.360898D+01  0.962495D+01
      5   0.167600D+01 -0.138618D+01 -0.240582D+01  0.274688D+01 -0.165189D+01
      6  -0.247464D+01 -0.302668D+01 -0.479379D+01  0.362415D+01 -0.321225D+01
                86            87            88            89            90 
      1  -0.480306D+02  0.117379D+02  0.228947D+01  0.120733D+02 -0.413518D+01
      2   0.657043D+02 -0.126264D+02 -0.331584D+01 -0.150510D+02  0.439145D+01
      3  -0.176737D+02  0.888476D+00  0.102637D+01  0.297766D+01 -0.256267D+00
      4   0.217344D+02 -0.460062D+01 -0.306783D+01 -0.501726D+01  0.266894D+01
      5  -0.227667D+01  0.198267D+01  0.903451D+00  0.236170D+01 -0.140778D+01
      6  -0.168289D+02  0.112799D+02  0.405707D+00  0.663137D+01 -0.418860D+01
                91            92            93            94            95 
      1  -0.329265D-01  0.507669D+01 -0.131903D+02  0.160117D+00 -0.717103D+01
      2   0.422216D+01 -0.736698D-01  0.972059D+00  0.607203D+01 -0.359738D+01
      3  -0.418924D+01 -0.500302D+01  0.122182D+02 -0.623215D+01  0.107684D+02
      4  -0.435682D+01 -0.174537D+02 -0.276534D+01 -0.201774D+02  0.294257D+02
      5   0.383455D-01 -0.433351D+01 -0.183648D+02  0.366233D+00 -0.163353D+02
      6  -0.361816D+01  0.601021D+00  0.781387D+00 -0.409341D+01  0.381773D+01
                96            97            98            99           100 
      1  -0.182327D+01  0.907611D-01 -0.268306D+01 -0.179264D+02 -0.719261D+02
      2   0.186702D+01 -0.144159D+02  0.739261D+01  0.172304D+02  0.416999D+02
      3  -0.437460D-01  0.143251D+02 -0.470955D+01  0.696012D+00  0.302262D+02
      4  -0.188048D+02 -0.587177D+01 -0.204088D+02 -0.347759D+01  0.240001D+01
      5  -0.356403D+01 -0.574990D+02  0.301769D+01  0.178317D+02  0.389176D+02
      6   0.304082D+01  0.243156D+01 -0.140805D+01 -0.160558D+01  0.239774D+00
               101           102           103           104           105 
      1  -0.125871D+01  0.278250D+02 -0.830341D+01  0.322956D+02  0.603985D+01
      2   0.283988D+00 -0.818976D+01  0.192379D+01 -0.698942D+01 -0.181279D+01
      3   0.974719D+00 -0.196352D+02  0.637962D+01 -0.253062D+02 -0.422706D+01
      4   0.198158D+02  0.852376D+00  0.186337D+02 -0.327235D+01  0.243326D+02
      5   0.252355D+01  0.861431D+01  0.419155D+01  0.158090D+02  0.399610D+01
      6  -0.119396D+02 -0.134252D+01 -0.668771D+01 -0.206014D+01 -0.197964D+02
               106           107           108           109           110 
      1   0.588834D+01  0.470230D+01  0.166227D+02 -0.618868D+02 -0.235541D+02
      2   0.141276D+02 -0.391489D+01 -0.215846D+02  0.209846D+02  0.157501D+01
      3  -0.200160D+02 -0.787413D+00  0.496195D+01  0.409022D+02  0.219791D+02
      4  -0.302064D+00  0.207913D+02  0.155515D+01 -0.432867D+02 -0.271613D+02
      5   0.367688D+02 -0.916401D+00 -0.295371D+02  0.100143D+02  0.718008D+00
      6  -0.248902D+01 -0.143518D+02 -0.383687D+01  0.896831D+00  0.384597D+01
               111           112           113           114           115 
      1   0.566008D+01 -0.340714D+02 -0.156845D+02  0.108887D+02  0.330681D+02
      2  -0.405417D+01  0.762063D+01  0.209661D+01 -0.277673D+00 -0.118857D+02
      3  -0.160591D+01  0.264507D+02  0.135879D+02 -0.106110D+02 -0.211824D+02
      4   0.379667D+01 -0.169849D+02 -0.265184D+02  0.119241D+02  0.196176D+02
      5  -0.180078D+01  0.126183D+01  0.872076D+01 -0.723358D+01  0.172453D+02
      6  -0.440993D+01  0.449384D+01 -0.181302D+01 -0.140382D+01  0.297863D+01
               116           117           118           119           120 
      1   0.852050D+01  0.192250D+02  0.139630D+02 -0.115926D+02  0.631619D+01
      2  -0.809439D+00 -0.104996D+01 -0.142065D+01  0.213241D+01 -0.162936D+01
      3  -0.771106D+01 -0.181750D+02 -0.125424D+02  0.946020D+01 -0.468683D+01
      4   0.192266D+02  0.415341D+01 -0.233010D+02  0.223498D+02 -0.210028D+01
      5   0.202693D+01  0.116681D+01  0.804119D+01 -0.163998D+01  0.109637D+02
      6  -0.156067D+01 -0.226486D+01 -0.211429D+01  0.124259D+01 -0.115168D+01
               121           122           123           124           125 
      1  -0.192757D+02  0.349359D+01 -0.112094D+01  0.871194D+01  0.342669D+00
      2   0.524012D+01  0.117686D+02 -0.258473D+01 -0.327710D+01 -0.352473D+01
      3   0.140356D+02 -0.152622D+02  0.370567D+01 -0.543484D+01  0.318206D+01
      4   0.225832D+02 -0.431826D+02  0.992919D+01 -0.404104D+01  0.139201D+02
      5  -0.271201D+01  0.905084D+01 -0.108059D+02  0.131773D+02 -0.882995D+01
      6   0.114291D+01 -0.348854D+01  0.422039D+01 -0.252158D+01  0.587413D+01
               126           127           128           129           130 
      1   0.416759D+01 -0.213045D+01  0.778626D+01 -0.108308D+02  0.110289D+02
      2  -0.189235D+01  0.698413D+00 -0.309786D+01 -0.181164D+00 -0.690673D+01
      3  -0.227523D+01  0.143204D+01 -0.468839D+01  0.110120D+02 -0.412222D+01
      4  -0.951878D+01  0.365810D+01 -0.623840D+01  0.254252D+01 -0.100589D+00
      5   0.584974D+01 -0.301269D+00 -0.267862D+00 -0.605640D+01 -0.838836D+01
      6  -0.306726D+01 -0.353637D+01  0.583007D+01 -0.292050D+01  0.135112D+01
               131           132           133           134           135 
      1  -0.166122D+02  0.109490D+02 -0.506489D+01  0.655662D+01 -0.140466D+02
      2   0.553043D+01  0.348688D+01  0.126458D+01  0.171412D+01 -0.178849D+01
      3   0.110817D+02 -0.144359D+02  0.380031D+01 -0.827073D+01  0.158351D+02
      4   0.221251D+02 -0.144159D+02 -0.301813D+00 -0.105022D+02  0.864236D+01
      5  -0.102820D+02  0.162142D+02  0.168432D+01  0.652977D+01 -0.102954D+02
      6  -0.164559D+02  0.131931D+02 -0.143633D+00  0.106336D+02 -0.801873D+01
               136           137           138           139           140 
      1   0.108566D+03 -0.114589D+01 -0.197512D+02  0.310963D+01  0.570309D+01
      2  -0.654626D+02  0.460541D+00  0.187057D+02 -0.274682D+01 -0.403522D+01
      3  -0.431035D+02  0.685353D+00  0.104543D+01 -0.362805D+00 -0.166787D+01
      4  -0.579642D+01  0.112819D+02  0.243824D+01  0.131189D+02  0.510173D+00
      5  -0.628929D+02  0.179360D+01  0.301435D+02 -0.247382D+01 -0.628932D+01
      6   0.265643D+01 -0.398927D+01 -0.160445D+01 -0.405454D+01 -0.176423D+00
               141           142           143           144           145 
      1  -0.904488D+00 -0.860579D+01 -0.117018D+01  0.880158D+01 -0.117891D+00
      2   0.140534D+01  0.916492D+01  0.512603D+00 -0.716947D+01 -0.693554D+00
      3  -0.500854D+00 -0.559126D+00  0.657573D+00 -0.163211D+01  0.811446D+00
      4  -0.504593D+01 -0.603746D+00 -0.339507D+01  0.523535D+00 -0.327787D+01
      5   0.210829D+01  0.177678D+02  0.120291D+01 -0.758041D+01 -0.318252D+01
      6   0.399192D+01 -0.191343D+00  0.275401D+01  0.446559D+00  0.387171D+01
               146           147           148           149           150 
      1  -0.913659D+01 -0.128484D+02 -0.855778D+01 -0.201682D+02 -0.155968D+02
      2   0.378557D+01  0.169803D+01  0.599995D+01  0.953709D+01 -0.360206D+00
      3   0.535102D+01  0.111504D+02  0.255783D+01  0.106311D+02  0.159570D+02
      4  -0.478109D+01 -0.257062D+01  0.336531D+01 -0.255006D+02 -0.201391D+02
      5  -0.258270D+00 -0.454174D+01  0.874970D+01 -0.159405D+02 -0.213424D+02
      6   0.645981D+01  0.488761D+01 -0.376835D+00  0.217197D+02  0.197462D+02
               151           152           153           154           155 
      1  -0.532062D+01 -0.112598D+02 -0.198366D+02  0.144094D+03  0.373120D+02
      2   0.253994D+01 -0.905219D-01 -0.225012D+01 -0.602853D+02 -0.853594D+01
      3   0.278068D+01  0.113503D+02  0.220867D+02 -0.838090D+02 -0.287761D+02
      4   0.269457D+01 -0.146047D+02 -0.144741D+02  0.692766D+02  0.472591D+02
      5   0.409966D+01 -0.126661D+02 -0.193794D+02  0.128714D+01  0.302187D+01
      6  -0.414705D+00  0.151995D+02  0.159200D+02 -0.180301D+01 -0.645707D+00
               156           157           158           159           160 
      1  -0.102908D+02  0.486500D+02  0.306156D+02 -0.526363D+01 -0.133319D+02
      2   0.181657D+01 -0.745225D+01  0.545678D+01 -0.154210D+01  0.281248D+01
      3   0.847420D+01 -0.411977D+02 -0.360724D+02  0.680572D+01  0.105194D+02
      4  -0.125889D+01  0.663776D+02  0.619043D+02 -0.865752D+01 -0.950978D+01
      5   0.290833D+02 -0.192982D+01 -0.378403D+01  0.174789D+02  0.286374D+02
      6   0.746482D+01  0.666104D+00  0.697630D+00  0.870287D+01  0.859173D+01
               161           162           163           164           165 
      1  -0.416695D+01  0.160376D+02  0.344288D+02  0.146788D+02  0.956393D+01
      2  -0.201545D+01 -0.820608D+01 -0.204039D+02 -0.471194D+01 -0.768199D+01
      3   0.618240D+01 -0.783148D+01 -0.140249D+02 -0.996684D+01 -0.188194D+01
      4  -0.133465D+02  0.141805D+02  0.275736D+02  0.142200D+02  0.243130D+01
      5   0.124947D+02 -0.131297D+02  0.208979D+02  0.350277D+01  0.162887D+02
      6   0.732501D+01 -0.263781D+01  0.107849D+02  0.179062D+01  0.806051D+00
               166           167           168           169           170 
      1   0.195829D+02 -0.413522D+01 -0.109492D+02 -0.682952D+01 -0.827367D+01
      2  -0.908836D+01  0.394541D+01  0.275648D+01 -0.187380D+01  0.187725D+01
      3  -0.104945D+02  0.189809D+00  0.819268D+01  0.870332D+01  0.639642D+01
      4   0.176988D+02  0.108208D+02  0.110973D+02 -0.375717D+01  0.201999D+01
      5   0.114125D+02  0.128744D+02  0.131307D+02  0.158228D+02  0.643181D+01
      6   0.389377D+01  0.904025D+01  0.129945D+02  0.108119D+01  0.106069D+02
               171           172           173           174           175 
      1  -0.259356D+02 -0.370377D+02 -0.896620D+01  0.951326D+01 -0.210624D+02
      2  -0.141505D+02  0.182134D+02  0.306779D+01  0.250306D+01  0.120475D+02
      3   0.400862D+02  0.188243D+02  0.589841D+01 -0.120163D+02  0.901491D+01
      4   0.447731D+01 -0.245745D+02 -0.107126D+02 -0.177258D+01 -0.171577D+02
      5   0.427388D+02 -0.157049D+02 -0.515176D+01 -0.123567D+02 -0.117532D+02
      6   0.124851D+02 -0.813777D+01 -0.482867D+01 -0.359811D+01 -0.565650D+01
               176           177           178           179           180 
      1  -0.102767D+02  0.315812D+01 -0.991442D+00  0.574844D+00 -0.107921D+02
      2   0.493217D+01  0.325711D+01  0.635937D+01  0.778516D+00  0.227154D+01
      3   0.534458D+01 -0.641522D+01 -0.536793D+01 -0.135336D+01  0.852051D+01
      4  -0.689055D+01  0.387488D+00 -0.725453D+01 -0.664561D+00 -0.521171D+01
      5  -0.773357D+00 -0.984358D+01 -0.822162D+01 -0.218888D+01  0.179759D+01
      6  -0.306045D+01  0.780253D+00 -0.353813D+01  0.129314D+01 -0.184210D+01
               181           182           183           184           185 
      1  -0.261464D+01  0.611419D+02 -0.137273D+02 -0.768749D+02  0.346672D+02
      2   0.804227D+00 -0.410736D+02  0.534791D+01  0.487847D+02 -0.263290D+02
      3   0.181041D+01 -0.200683D+02  0.837941D+01  0.280901D+02 -0.833815D+01
      4   0.345908D+02  0.338405D+02 -0.895066D+01  0.348061D+02  0.226631D+02
      5  -0.443245D+01 -0.109232D+02  0.159004D+02 -0.118877D+00 -0.132722D+02
      6  -0.302684D+01  0.582062D+01 -0.860504D+01 -0.103712D+02  0.882236D+01
               186           187           188           189           190 
      1  -0.434819D+01  0.213016D+02 -0.139674D+02  0.294862D+01  0.136901D+03
      2   0.425698D+01 -0.220543D+02  0.137445D+02 -0.838720D+01 -0.762825D+02
      3   0.912155D-01  0.752725D+00  0.222875D+00  0.543857D+01 -0.606181D+02
      4  -0.134473D+02 -0.660608D+01 -0.155740D+02 -0.130448D+02 -0.200923D+02
      5  -0.306465D+01  0.284392D+02 -0.139511D+02  0.871040D+01  0.752936D+01
      6   0.313666D+01 -0.143095D+02  0.898100D+01  0.120142D+01  0.152982D+01
               191           192           193           194           195 
      1  -0.406442D+02  0.282969D+01  0.351605D+01 -0.280311D+02  0.128629D+02
      2   0.260587D+02 -0.211044D+01 -0.648649D+01  0.269152D+02 -0.130153D+02
      3   0.145855D+02 -0.719247D+00  0.297044D+01  0.111589D+01  0.152378D+00
      4   0.288780D+02 -0.603017D+01 -0.264694D+02 -0.600933D+02  0.151549D+02
      5  -0.716283D+01  0.918304D+00  0.167674D+02  0.150276D+02 -0.503778D+01
      6  -0.139437D+00  0.366725D+01  0.602932D+01 -0.882152D+01  0.283933D+00
               196           197           198           199           200 
      1  -0.308261D+01  0.148823D+02  0.228469D+02 -0.112539D+03  0.160440D+02
      2   0.340704D+01 -0.123602D+02 -0.201642D+02  0.545912D+02 -0.661219D+01
      3  -0.324429D+00 -0.252217D+01 -0.268267D+01  0.579480D+02 -0.943182D+01
      4   0.196704D+02  0.954079D+01 -0.693109D+01  0.191543D+02 -0.341000D+02
      5   0.456081D+02 -0.132420D+02  0.184407D+01 -0.488477D+01  0.141973D+02
      6  -0.144684D+01  0.570537D+01  0.374600D+01  0.665851D+01 -0.163153D+01
               201           202           203           204           205 
      1   0.222707D+01  0.907139D+02 -0.145542D+02 -0.531150D+01 -0.152392D+02
      2  -0.144743D+01 -0.561745D+02  0.448487D+00  0.569197D+01  0.125031D+02
      3  -0.779642D+00 -0.345394D+02  0.141057D+02 -0.380465D+00  0.273602D+01
      4   0.102417D+02 -0.111948D+02  0.283227D+02  0.229433D+01  0.462673D+01
      5   0.128211D+01  0.291350D+01  0.150771D+01  0.549977D+01  0.476475D+01
      6  -0.346684D-02  0.512049D+01  0.106081D+02  0.202860D+01  0.309419D+01
               206           207           208           209           210 
      1   0.956020D+00 -0.153409D+02  0.125246D+01  0.327341D+02 -0.490613D+01
      2   0.743915D+01 -0.427765D+00 -0.281329D+01 -0.204550D+02  0.236881D+01
      3  -0.839517D+01  0.157686D+02  0.156082D+01 -0.122791D+02  0.253733D+01
      4   0.934953D+01  0.239500D+02  0.254410D+02  0.454422D+01  0.395584D+01
      5   0.250706D+02 -0.128682D+02 -0.651115D+01  0.453757D+01  0.255638D+02
      6   0.128674D+02 -0.171779D+01  0.110468D+01 -0.766260D+00 -0.516065D+01
               211           212           213           214           215 
      1   0.989123D+01  0.970543D+01 -0.352363D+01 -0.109101D+01 -0.370365D+01
      2  -0.261829D+01 -0.323477D+01  0.461665D+01  0.188642D+01  0.333566D+01
      3  -0.727294D+01 -0.647065D+01 -0.109301D+01 -0.795409D+00  0.367985D+00
      4   0.322566D+02  0.134788D+02 -0.511269D+01 -0.646275D+01 -0.350381D+00
      5  -0.694645D+01 -0.416686D+01 -0.748283D+01  0.122092D+02  0.537739D+01
      6  -0.118298D+01  0.169974D+01  0.716927D+01  0.244786D+01  0.283267D+01
               216           217           218           219           220 
      1   0.244386D+01 -0.693094D+02 -0.424841D+02  0.146296D+02 -0.552095D+02
      2  -0.296424D+01  0.419187D+02  0.213247D+02 -0.757300D+01  0.282427D+02
      3   0.520372D+00  0.273907D+02  0.211594D+02 -0.705657D+01  0.269668D+02
      4   0.715296D+01 -0.396779D+02  0.128892D+02  0.158792D+01 -0.148522D+02
      5  -0.329209D+01  0.140064D+02  0.186006D+01 -0.500103D+01  0.709251D+01
      6  -0.221392D+01 -0.160750D+01 -0.883118D+00  0.162422D+01  0.194864D+01
               221           222           223           224           225 
      1   0.983280D+01  0.101612D+02  0.162590D+02  0.782279D+01  0.199306D+01
      2  -0.931713D+01 -0.120401D+02 -0.430327D+01 -0.978863D+01 -0.159596D+01
      3  -0.515678D+00  0.187890D+01 -0.119558D+02  0.196584D+01 -0.397106D+00
      4   0.287386D+02  0.202875D+02  0.567829D+01  0.142867D+02  0.390074D+02
      5   0.205490D+02  0.597989D+02 -0.231210D+02  0.426939D+02 -0.373161D+02
      6  -0.813917D+01 -0.172504D+02  0.103143D+02 -0.136112D+02  0.740101D+01
               226           227           228           229           230 
      1  -0.718219D+01 -0.154302D+02  0.438104D+01 -0.750296D+01 -0.433543D+02
      2   0.689120D+01  0.144213D+02 -0.289848D+01  0.708414D+01  0.490751D+02
      3   0.290990D+00  0.100891D+01 -0.148256D+01  0.418818D+00 -0.572082D+01
      4   0.260839D+00  0.511670D+01 -0.808976D+00  0.273921D+01 -0.949702D+01
      5   0.231361D+00 -0.551534D+00  0.991694D+00 -0.112588D+00  0.377672D+01
      6  -0.222285D+01 -0.409472D+01  0.284795D+01 -0.195086D+01 -0.145235D+02
               231           232           233           234           235 
      1   0.109041D+02  0.227023D+01  0.111107D+02 -0.393878D+01  0.406044D+02
      2  -0.894930D+01 -0.206550D+01 -0.112043D+02  0.342331D+01 -0.154611D+02
      3  -0.195476D+01 -0.204735D+00  0.936697D-01  0.515476D+00 -0.251432D+02
      4   0.263559D+01 -0.149946D+00  0.257386D+01  0.103267D+01 -0.304398D+02
      5  -0.254584D+01  0.154460D+01 -0.126750D+00 -0.111040D+00  0.543006D+01
      6   0.935427D+01  0.461091D+00  0.546861D+01 -0.347379D+01 -0.166721D+01
               236           237           238           239           240 
      1  -0.121014D+02  0.665076D+00 -0.123320D+02  0.440545D+01 -0.118515D+01
      2  -0.438088D+00  0.242202D+00 -0.501594D+01  0.146943D+02 -0.608225D+00
      3   0.125395D+02 -0.907278D+00  0.173479D+02 -0.190998D+02  0.179338D+01
      4   0.246246D+02 -0.364128D+01  0.364949D+02 -0.420868D+02  0.667651D+01
      5  -0.474251D+01  0.367128D+01 -0.898103D+01  0.855826D+01 -0.652717D+01
      6   0.235055D+01 -0.211565D+01  0.555557D+01 -0.632678D+01  0.535820D+01
               241           242           243           244           245 
      1   0.469395D-01 -0.793761D+00 -0.150582D+01  0.485916D+01  0.818523D+01
      2   0.303748D+01 -0.247166D+01  0.145182D+01  0.239168D+01  0.892278D+00
      3  -0.308442D+01  0.326542D+01  0.539995D-01 -0.725084D+01 -0.907751D+01
      4  -0.725527D+01  0.794756D+01 -0.271396D+01  0.238698D+02  0.225717D+02
      5  -0.363200D+00 -0.247069D+01  0.194143D+01 -0.559799D+01 -0.483613D+01
      6  -0.378151D-01  0.251742D+01 -0.175462D+01 -0.283097D+01 -0.270904D+01
               246           247           248           249           250 
      1  -0.196766D+01  0.620004D+01 -0.873381D+01  0.211530D+01 -0.165223D+01
      2   0.655267D+00  0.591370D+01  0.232820D+02 -0.299304D+01 -0.275967D+00
      3   0.131239D+01 -0.121137D+02 -0.145482D+02  0.877742D+00  0.192820D+01
      4  -0.585001D+01  0.297064D+02  0.490779D+02 -0.114675D+02 -0.777783D+01
      5   0.501720D+01 -0.635603D+01 -0.974354D+01  0.853437D+01  0.416507D+01
      6   0.270506D+01 -0.441923D+01 -0.858308D+01  0.746007D+01  0.348878D+01
               251           252           253           254           255 
      1   0.141104D+01 -0.103283D+01  0.176531D+01 -0.583101D+01 -0.109558D+02
      2  -0.419999D+01  0.211792D+01 -0.213960D+00  0.336498D+01  0.536319D+01
      3   0.278895D+01 -0.108509D+01 -0.155135D+01  0.246603D+01  0.559262D+01
      4  -0.124485D+02  0.457632D+01 -0.301994D+01 -0.739630D+00  0.208567D+01
      5   0.273071D+01 -0.288131D+01 -0.976188D+01  0.124930D+01 -0.295321D+01
      6   0.390499D+01 -0.341967D+01  0.265894D+01  0.822787D+00  0.189753D+01
               256           257           258           259           260 
      1  -0.198938D+02  0.204315D+01 -0.421632D+00 -0.293335D+02  0.225186D+01
      2   0.559834D+01  0.112636D+02  0.478166D+01  0.131675D+02  0.308900D+01
      3   0.142955D+02 -0.133067D+02 -0.436003D+01  0.161660D+02 -0.534086D+01
      4   0.324667D+02 -0.538564D+02 -0.278108D+02  0.202653D+02 -0.308198D+02
      5   0.141223D+02 -0.285717D+02 -0.304034D+02  0.219693D+02 -0.293442D+02
      6  -0.685493D+01  0.134782D+02  0.122527D+02 -0.806922D+01  0.128943D+02
               261           262           263           264           265 
      1  -0.369440D+00  0.980280D+01 -0.147440D+01  0.126394D+02 -0.558108D+01
      2  -0.961205D+00 -0.643928D+01  0.103720D+01 -0.557345D+01  0.185679D+01
      3   0.133065D+01 -0.336352D+01  0.437204D+00 -0.706593D+01  0.372430D+01
      4  -0.272288D+02 -0.932909D+00 -0.838367D+00 -0.510336D+01  0.177937D+02
      5  -0.308973D+02  0.135881D+02 -0.433417D+01  0.351222D+01 -0.136254D+02
      6   0.117664D+02 -0.304671D+01  0.823308D+00  0.247837D+00  0.411612D+01
               266           267           268           269           270 
      1   0.286362D+01 -0.460456D+01  0.421401D+02 -0.871316D+01  0.848002D+01
      2   0.923352D+00  0.181126D+01 -0.256962D+02  0.459245D+01 -0.139654D+02
      3  -0.378697D+01  0.279330D+01 -0.164439D+02  0.412071D+01  0.548542D+01
      4  -0.203509D+02  0.151839D+02 -0.224048D+02  0.212101D+02 -0.248579D+02
      5   0.159115D+02 -0.254392D+02  0.410498D+02 -0.281357D+02  0.718384D+02
      6  -0.558321D+01  0.101083D+02 -0.950621D+01  0.106657D+02 -0.161074D+02
               271           272           273           274           275 
      1   0.190496D+03  0.180062D+02 -0.134659D+02  0.582182D+02  0.183428D+02
      2  -0.101105D+03 -0.104510D+02  0.761473D+01 -0.315647D+02 -0.932333D+01
      3  -0.893909D+02 -0.755521D+01  0.585117D+01 -0.266534D+02 -0.901945D+01
      4   0.147620D+02  0.156961D+02 -0.679796D+00  0.217434D+02  0.144059D+02
      5  -0.142336D+02 -0.849583D+00  0.184058D+02 -0.343848D+01 -0.437577D+01
      6   0.214660D+01 -0.612458D-01 -0.120596D+01  0.166787D+00  0.519493D+00
               276           277           278           279 
      1  -0.403633D+01 -0.231683D+02 -0.218888D+01  0.168593D+02
      2   0.281739D+01  0.130441D+02  0.207387D+01 -0.100640D+02
      3   0.121894D+01  0.101242D+02  0.115012D+00 -0.679528D+01
      4  -0.432423D+01 -0.100683D+01 -0.531254D+01 -0.964816D+00
      5   0.492783D+01  0.240006D+02 -0.108016D+01 -0.388294D+01
      6   0.132728D+01 -0.106585D+01  0.227357D+01 -0.151382D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 12:26:28 2021, MaxMem=  5368709120 cpu:           43993.4 elap:            5502.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31016 -19.30792 -19.25065 -10.43462 -10.37743
 Alpha  occ. eigenvalues --  -10.36495 -10.33347 -10.32684 -10.32633 -10.32226
 Alpha  occ. eigenvalues --  -10.32139 -10.31935 -10.31898 -10.31884 -10.31662
 Alpha  occ. eigenvalues --  -10.30662 -10.29768  -1.19737  -1.17373  -1.11413
 Alpha  occ. eigenvalues --   -0.99143  -0.94699  -0.90176  -0.88443  -0.84478
 Alpha  occ. eigenvalues --   -0.84115  -0.79462  -0.75770  -0.73803  -0.71042
 Alpha  occ. eigenvalues --   -0.70885  -0.69324  -0.64137  -0.62969  -0.62178
 Alpha  occ. eigenvalues --   -0.59943  -0.57466  -0.57432  -0.55424  -0.55085
 Alpha  occ. eigenvalues --   -0.54802  -0.54131  -0.52186  -0.51732  -0.51357
 Alpha  occ. eigenvalues --   -0.50658  -0.50265  -0.49062  -0.48005  -0.46330
 Alpha  occ. eigenvalues --   -0.45241  -0.44983  -0.44118  -0.43564  -0.42146
 Alpha  occ. eigenvalues --   -0.41004  -0.40749  -0.38118  -0.36106  -0.32755
 Alpha  occ. eigenvalues --   -0.29264
 Alpha virt. eigenvalues --    0.00025   0.03634   0.06688   0.07127   0.07542
 Alpha virt. eigenvalues --    0.08183   0.09468   0.10663   0.10906   0.11096
 Alpha virt. eigenvalues --    0.12241   0.12829   0.13251   0.14393   0.14477
 Alpha virt. eigenvalues --    0.15579   0.15751   0.16656   0.17289   0.17504
 Alpha virt. eigenvalues --    0.18091   0.18494   0.18685   0.19114   0.19540
 Alpha virt. eigenvalues --    0.20257   0.20679   0.21110   0.21576   0.22155
 Alpha virt. eigenvalues --    0.22957   0.23470   0.23677   0.24366   0.24618
 Alpha virt. eigenvalues --    0.25265   0.25818   0.26147   0.26681   0.27216
 Alpha virt. eigenvalues --    0.27717   0.28074   0.28396   0.28827   0.29504
 Alpha virt. eigenvalues --    0.29959   0.30192   0.30711   0.31043   0.31170
 Alpha virt. eigenvalues --    0.32200   0.32680   0.32904   0.33198   0.33255
 Alpha virt. eigenvalues --    0.33723   0.34856   0.35455   0.35562   0.35714
 Alpha virt. eigenvalues --    0.36449   0.36770   0.37134   0.37398   0.38034
 Alpha virt. eigenvalues --    0.38258   0.38625   0.38872   0.39410   0.39818
 Alpha virt. eigenvalues --    0.40033   0.40880   0.40973   0.41318   0.41938
 Alpha virt. eigenvalues --    0.42218   0.42420   0.42463   0.43044   0.43162
 Alpha virt. eigenvalues --    0.43286   0.43653   0.44246   0.44579   0.45219
 Alpha virt. eigenvalues --    0.45402   0.45621   0.46046   0.46490   0.46811
 Alpha virt. eigenvalues --    0.47083   0.47320   0.47500   0.48067   0.48521
 Alpha virt. eigenvalues --    0.48717   0.49111   0.49609   0.49850   0.50123
 Alpha virt. eigenvalues --    0.50348   0.50488   0.50846   0.51941   0.52408
 Alpha virt. eigenvalues --    0.52528   0.53047   0.53425   0.54018   0.54358
 Alpha virt. eigenvalues --    0.54497   0.54786   0.55467   0.56430   0.56823
 Alpha virt. eigenvalues --    0.57000   0.57454   0.57776   0.57986   0.58325
 Alpha virt. eigenvalues --    0.59237   0.59267   0.59917   0.60124   0.60653
 Alpha virt. eigenvalues --    0.60800   0.61164   0.61547   0.62108   0.62623
 Alpha virt. eigenvalues --    0.62981   0.63861   0.64361   0.64766   0.65044
 Alpha virt. eigenvalues --    0.66001   0.66261   0.66959   0.67280   0.67933
 Alpha virt. eigenvalues --    0.68314   0.68762   0.68915   0.69272   0.69664
 Alpha virt. eigenvalues --    0.71185   0.71579   0.72426   0.73033   0.73562
 Alpha virt. eigenvalues --    0.74114   0.75086   0.75247   0.75618   0.76002
 Alpha virt. eigenvalues --    0.76488   0.77097   0.77601   0.77637   0.78406
 Alpha virt. eigenvalues --    0.78941   0.79598   0.79929   0.80598   0.80808
 Alpha virt. eigenvalues --    0.82067   0.82177   0.82420   0.83309   0.84092
 Alpha virt. eigenvalues --    0.84562   0.85463   0.85790   0.86662   0.87824
 Alpha virt. eigenvalues --    0.88319   0.89540   0.90000   0.90877   0.91382
 Alpha virt. eigenvalues --    0.92269   0.93148   0.94046   0.94954   0.95572
 Alpha virt. eigenvalues --    0.96393   0.97428   0.97571   0.98204   1.00270
 Alpha virt. eigenvalues --    1.00827   1.01106   1.01988   1.02473   1.03285
 Alpha virt. eigenvalues --    1.03739   1.06015   1.06244   1.06849   1.07662
 Alpha virt. eigenvalues --    1.08000   1.08875   1.09610   1.10379   1.10767
 Alpha virt. eigenvalues --    1.11621   1.12129   1.12589   1.12982   1.13635
 Alpha virt. eigenvalues --    1.14439   1.15764   1.15842   1.16736   1.17743
 Alpha virt. eigenvalues --    1.19208   1.20204   1.21174   1.23108   1.24052
 Alpha virt. eigenvalues --    1.25206   1.25484   1.26565   1.26750   1.27546
 Alpha virt. eigenvalues --    1.27914   1.28262   1.28861   1.30270   1.31549
 Alpha virt. eigenvalues --    1.33317   1.34038   1.34828   1.36334   1.37482
 Alpha virt. eigenvalues --    1.37975   1.38118   1.39449   1.39781   1.43056
 Alpha virt. eigenvalues --    1.43715   1.44026   1.44577   1.45620   1.46839
 Alpha virt. eigenvalues --    1.48235   1.49186   1.49593   1.52742   1.54021
 Alpha virt. eigenvalues --    1.54299   1.56124   1.57108   1.57320   1.59056
 Alpha virt. eigenvalues --    1.59923   1.61412   1.62249   1.64155   1.64777
 Alpha virt. eigenvalues --    1.66362   1.66958   1.67121   1.68427   1.69510
 Alpha virt. eigenvalues --    1.70909   1.72044   1.73381   1.74228   1.74301
 Alpha virt. eigenvalues --    1.75505   1.76473   1.77583   1.78009   1.80270
 Alpha virt. eigenvalues --    1.80808   1.81829   1.82734   1.83645   1.85389
 Alpha virt. eigenvalues --    1.85724   1.87510   1.88606   1.89815   1.91460
 Alpha virt. eigenvalues --    1.91830   1.92406   1.93870   1.94439   1.94730
 Alpha virt. eigenvalues --    1.96525   1.96972   1.97840   1.98784   2.00024
 Alpha virt. eigenvalues --    2.00464   2.02137   2.03216   2.04186   2.05704
 Alpha virt. eigenvalues --    2.05964   2.07089   2.07731   2.08252   2.10487
 Alpha virt. eigenvalues --    2.10867   2.11826   2.13515   2.14170   2.14892
 Alpha virt. eigenvalues --    2.15104   2.16269   2.17132   2.17695   2.18224
 Alpha virt. eigenvalues --    2.18749   2.20903   2.21684   2.22512   2.24050
 Alpha virt. eigenvalues --    2.24683   2.26710   2.28519   2.30361   2.30904
 Alpha virt. eigenvalues --    2.31830   2.34322   2.35598   2.36374   2.37335
 Alpha virt. eigenvalues --    2.38565   2.39443   2.40792   2.42350   2.42981
 Alpha virt. eigenvalues --    2.44712   2.46639   2.47050   2.48415   2.50450
 Alpha virt. eigenvalues --    2.51039   2.52681   2.53815   2.55128   2.55463
 Alpha virt. eigenvalues --    2.58613   2.58921   2.59778   2.61269   2.63575
 Alpha virt. eigenvalues --    2.64342   2.65308   2.66432   2.67921   2.69126
 Alpha virt. eigenvalues --    2.73262   2.74186   2.76373   2.78278   2.81692
 Alpha virt. eigenvalues --    2.86429   2.88136   2.89802   2.94647   2.95005
 Alpha virt. eigenvalues --    2.96437   3.00129   3.00374   3.00907   3.01807
 Alpha virt. eigenvalues --    3.02992   3.04386   3.04859   3.06545   3.07180
 Alpha virt. eigenvalues --    3.09342   3.10721   3.12914   3.16745   3.17507
 Alpha virt. eigenvalues --    3.17729   3.18948   3.20386   3.22722   3.23965
 Alpha virt. eigenvalues --    3.25848   3.28279   3.28996   3.29269   3.33959
 Alpha virt. eigenvalues --    3.36870   3.40061   3.55114   3.56938   3.65484
 Alpha virt. eigenvalues --    3.68325   3.73474   3.88462   3.92889   4.07023
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.640145  -0.787482  -1.273449   0.087386  -0.430595  -0.090478
     2  C   -0.787482  11.118216   0.322078  -1.178073   0.404274  -1.154413
     3  C   -1.273449   0.322078   9.389459  -1.603106  -0.184412  -0.128162
     4  C    0.087386  -1.178073  -1.603106  12.824804  -0.685553   0.742642
     5  C   -0.430595   0.404274  -0.184412  -0.685553   9.177999  -0.570806
     6  C   -0.090478  -1.154413  -0.128162   0.742642  -0.570806   8.229355
     7  C   -0.864275  -0.833423  -0.492425   0.155018   0.080903   0.206649
     8  H   -0.499808   0.123380   0.371247  -1.425398  -0.006228   0.116656
     9  H    0.216901  -0.050370   0.093170  -1.326438  -0.025672  -0.674451
    10  H    0.020152  -0.611830   0.114596  -0.064501  -0.522027   0.005569
    11  C   -0.000498   0.131693  -0.488008  -0.119317  -0.786646   0.027549
    12  C   -0.003355  -0.000815  -0.083792   0.108904  -0.021100   0.003439
    13  C   -0.025689  -0.012908  -0.180395   0.384835  -0.085748   0.002361
    14  H    0.025192   0.014085   0.168879  -0.486849  -0.083399   0.009240
    15  H   -0.000646   0.001249   0.026369  -0.067985   0.008961   0.000747
    16  H   -0.001338  -0.000215  -0.012980   0.025431  -0.015613   0.000026
    17  H    0.003638   0.001065   0.023989  -0.069738   0.047601  -0.005281
    18  O    0.001637   0.000658   0.052922  -0.064829   0.025513  -0.000390
    19  O    0.009539  -0.002115  -0.025411  -0.010901   0.019122   0.000169
    20  H    0.007535   0.002775   0.013526  -0.073521  -0.011015   0.001322
    21  C    0.511813  -0.433814   0.094580  -0.036053   0.010049   0.020504
    22  C   -0.625207   0.163712   0.049918   0.020212   0.000269   0.172154
    23  C   -0.379147  -0.743870  -0.009881   0.143254   0.016800  -0.960044
    24  O    0.021300   0.054604  -0.002359  -0.002616  -0.000812  -0.007020
    25  C    0.000967  -0.002892  -0.000643  -0.000055  -0.000003   0.000628
    26  H   -0.107422   0.056428  -0.155728  -0.001358  -0.008478  -0.020313
    27  H    0.012757   0.146571   0.019500   0.001323  -0.000469  -0.003079
    28  H    0.020132  -0.060661   0.007646  -0.015102   0.032287  -0.009385
    29  H    0.000370  -0.002117  -0.000104   0.000002   0.000003  -0.000052
    30  H    0.000297  -0.002019  -0.000076   0.000002   0.000003  -0.000088
    31  H   -0.001385   0.000045   0.000033  -0.000000  -0.000002   0.000040
               7          8          9         10         11         12
     1  C   -0.864275  -0.499808   0.216901   0.020152  -0.000498  -0.003355
     2  C   -0.833423   0.123380  -0.050370  -0.611830   0.131693  -0.000815
     3  C   -0.492425   0.371247   0.093170   0.114596  -0.488008  -0.083792
     4  C    0.155018  -1.425398  -1.326438  -0.064501  -0.119317   0.108904
     5  C    0.080903  -0.006228  -0.025672  -0.522027  -0.786646  -0.021100
     6  C    0.206649   0.116656  -0.674451   0.005569   0.027549   0.003439
     7  C    8.740157  -0.190574  -0.006054   0.005625  -0.004979   0.001643
     8  H   -0.190574   2.487970   0.043337  -0.012782  -0.173178  -0.021425
     9  H   -0.006054   0.043337   3.391268  -0.754636  -0.407533  -0.044153
    10  H    0.005625  -0.012782  -0.754636   2.529339   0.020583   0.001162
    11  C   -0.004979  -0.173178  -0.407533   0.020583   7.619229   0.412255
    12  C    0.001643  -0.021425  -0.044153   0.001162   0.412255   4.274603
    13  C   -0.000930  -0.079729  -0.032081   0.000458  -0.229434   0.020808
    14  H    0.000929   0.033559   0.071533  -0.002323   0.099044  -0.194521
    15  H   -0.000608   0.018636   0.001949   0.000069   0.051908   0.267103
    16  H   -0.000122  -0.003448  -0.005948   0.000036   0.139336   0.239536
    17  H    0.000404   0.001567   0.024507  -0.000699   0.140329   0.185703
    18  O    0.000020   0.011625   0.005430  -0.000092  -0.053203  -0.015269
    19  O    0.000718   0.006680  -0.003235  -0.000266   0.009412   0.010555
    20  H    0.000578   0.000171   0.006347  -0.000011  -0.041886   0.000536
    21  C   -0.126259   0.038884   0.000248  -0.008203   0.000092  -0.000015
    22  C    0.569010  -0.002892  -0.002619   0.028128  -0.000338  -0.000151
    23  C   -0.383124  -0.008021   0.027415  -0.313438  -0.001217  -0.000142
    24  O   -0.011296  -0.000159   0.000037   0.000552   0.000038   0.000004
    25  C    0.026431  -0.000056  -0.000003   0.000069  -0.000002  -0.000000
    26  H   -0.491743  -0.154866   0.000290   0.000617   0.000717   0.000847
    27  H   -0.334516   0.001753   0.000008   0.000010   0.000019  -0.000006
    28  H    0.039456   0.001563  -0.001241  -0.025953  -0.000009  -0.000014
    29  H    0.002030  -0.000003  -0.000000  -0.000003  -0.000000  -0.000000
    30  H    0.001268  -0.000001  -0.000000  -0.000004  -0.000000   0.000000
    31  H   -0.001921   0.000000  -0.000000   0.000001   0.000000  -0.000000
              13         14         15         16         17         18
     1  C   -0.025689   0.025192  -0.000646  -0.001338   0.003638   0.001637
     2  C   -0.012908   0.014085   0.001249  -0.000215   0.001065   0.000658
     3  C   -0.180395   0.168879   0.026369  -0.012980   0.023989   0.052922
     4  C    0.384835  -0.486849  -0.067985   0.025431  -0.069738  -0.064829
     5  C   -0.085748  -0.083399   0.008961  -0.015613   0.047601   0.025513
     6  C    0.002361   0.009240   0.000747   0.000026  -0.005281  -0.000390
     7  C   -0.000930   0.000929  -0.000608  -0.000122   0.000404   0.000020
     8  H   -0.079729   0.033559   0.018636  -0.003448   0.001567   0.011625
     9  H   -0.032081   0.071533   0.001949  -0.005948   0.024507   0.005430
    10  H    0.000458  -0.002323   0.000069   0.000036  -0.000699  -0.000092
    11  C   -0.229434   0.099044   0.051908   0.139336   0.140329  -0.053203
    12  C    0.020808  -0.194521   0.267103   0.239536   0.185703  -0.015269
    13  C    5.490825  -0.178528   0.048256  -0.034662  -0.014348   0.104063
    14  H   -0.178528   1.229984   0.000622   0.014944  -0.009422   0.010863
    15  H    0.048256   0.000622   0.634692  -0.013639   0.014832   0.001787
    16  H   -0.034662   0.014944  -0.013639   0.608223  -0.029378   0.009003
    17  H   -0.014348  -0.009422   0.014832  -0.029378   0.668741   0.005367
    18  O    0.104063   0.010863   0.001787   0.009003   0.005367   8.415386
    19  O   -0.094399   0.012616  -0.006992   0.004627  -0.000173   0.017253
    20  H    0.118331   0.002559   0.000582  -0.000201  -0.000151  -0.011604
    21  C   -0.000297   0.000027  -0.000026   0.000001   0.000013   0.000049
    22  C    0.000350  -0.000046   0.000015   0.000002  -0.000029  -0.000026
    23  C   -0.000692   0.000382  -0.000021  -0.000010   0.000122   0.000058
    24  O   -0.000009   0.000001  -0.000001   0.000000   0.000001   0.000000
    25  C    0.000001  -0.000000   0.000000   0.000000  -0.000000  -0.000000
    26  H   -0.000121   0.000100  -0.000322  -0.000023   0.000094   0.000005
    27  H    0.000013  -0.000000  -0.000001   0.000000  -0.000000  -0.000001
    28  H   -0.000045   0.000009  -0.000002  -0.000000   0.000002   0.000002
    29  H    0.000000  -0.000000   0.000000   0.000000  -0.000000  -0.000000
    30  H    0.000000  -0.000000   0.000000   0.000000  -0.000000  -0.000000
    31  H   -0.000000   0.000000  -0.000000   0.000000  -0.000000  -0.000000
              19         20         21         22         23         24
     1  C    0.009539   0.007535   0.511813  -0.625207  -0.379147   0.021300
     2  C   -0.002115   0.002775  -0.433814   0.163712  -0.743870   0.054604
     3  C   -0.025411   0.013526   0.094580   0.049918  -0.009881  -0.002359
     4  C   -0.010901  -0.073521  -0.036053   0.020212   0.143254  -0.002616
     5  C    0.019122  -0.011015   0.010049   0.000269   0.016800  -0.000812
     6  C    0.000169   0.001322   0.020504   0.172154  -0.960044  -0.007020
     7  C    0.000718   0.000578  -0.126259   0.569010  -0.383124  -0.011296
     8  H    0.006680   0.000171   0.038884  -0.002892  -0.008021  -0.000159
     9  H   -0.003235   0.006347   0.000248  -0.002619   0.027415   0.000037
    10  H   -0.000266  -0.000011  -0.008203   0.028128  -0.313438   0.000552
    11  C    0.009412  -0.041886   0.000092  -0.000338  -0.001217   0.000038
    12  C    0.010555   0.000536  -0.000015  -0.000151  -0.000142   0.000004
    13  C   -0.094399   0.118331  -0.000297   0.000350  -0.000692  -0.000009
    14  H    0.012616   0.002559   0.000027  -0.000046   0.000382   0.000001
    15  H   -0.006992   0.000582  -0.000026   0.000015  -0.000021  -0.000001
    16  H    0.004627  -0.000201   0.000001   0.000002  -0.000010   0.000000
    17  H   -0.000173  -0.000151   0.000013  -0.000029   0.000122   0.000001
    18  O    0.017253  -0.011604   0.000049  -0.000026   0.000058   0.000000
    19  O    8.283962   0.175786  -0.000088  -0.000127   0.000034   0.000007
    20  H    0.175786   0.559519  -0.000006  -0.000043   0.000216  -0.000003
    21  C   -0.000088  -0.000006   7.188401  -0.931007  -0.128879   0.103789
    22  C   -0.000127  -0.000043  -0.931007   7.757424  -0.498774  -0.066522
    23  C    0.000034   0.000216  -0.128879  -0.498774   9.821138  -0.004411
    24  O    0.000007  -0.000003   0.103789  -0.066522  -0.004411   8.766140
    25  C   -0.000000  -0.000000  -0.015000   0.098587  -0.000477   0.126362
    26  H   -0.000287   0.000318  -0.397243   0.039331   0.045622   0.015048
    27  H   -0.000006  -0.000001  -0.310069  -0.488417   0.057893  -0.219058
    28  H   -0.000008   0.000013   0.109189  -0.623008  -0.364252   0.058795
    29  H   -0.000000  -0.000000   0.006982  -0.003161  -0.000992   0.078149
    30  H   -0.000000  -0.000000   0.008704  -0.006441   0.000436   0.077979
    31  H   -0.000000   0.000000   0.058032   0.019446   0.008800  -0.177874
              25         26         27         28         29         30
     1  C    0.000967  -0.107422   0.012757   0.020132   0.000370   0.000297
     2  C   -0.002892   0.056428   0.146571  -0.060661  -0.002117  -0.002019
     3  C   -0.000643  -0.155728   0.019500   0.007646  -0.000104  -0.000076
     4  C   -0.000055  -0.001358   0.001323  -0.015102   0.000002   0.000002
     5  C   -0.000003  -0.008478  -0.000469   0.032287   0.000003   0.000003
     6  C    0.000628  -0.020313  -0.003079  -0.009385  -0.000052  -0.000088
     7  C    0.026431  -0.491743  -0.334516   0.039456   0.002030   0.001268
     8  H   -0.000056  -0.154866   0.001753   0.001563  -0.000003  -0.000001
     9  H   -0.000003   0.000290   0.000008  -0.001241  -0.000000  -0.000000
    10  H    0.000069   0.000617   0.000010  -0.025953  -0.000003  -0.000004
    11  C   -0.000002   0.000717   0.000019  -0.000009  -0.000000  -0.000000
    12  C   -0.000000   0.000847  -0.000006  -0.000014  -0.000000   0.000000
    13  C    0.000001  -0.000121   0.000013  -0.000045   0.000000   0.000000
    14  H   -0.000000   0.000100  -0.000000   0.000009  -0.000000  -0.000000
    15  H    0.000000  -0.000322  -0.000001  -0.000002   0.000000   0.000000
    16  H    0.000000  -0.000023   0.000000  -0.000000   0.000000   0.000000
    17  H   -0.000000   0.000094  -0.000000   0.000002  -0.000000  -0.000000
    18  O   -0.000000   0.000005  -0.000001   0.000002  -0.000000  -0.000000
    19  O   -0.000000  -0.000287  -0.000006  -0.000008  -0.000000  -0.000000
    20  H   -0.000000   0.000318  -0.000001   0.000013  -0.000000  -0.000000
    21  C   -0.015000  -0.397243  -0.310069   0.109189   0.006982   0.008704
    22  C    0.098587   0.039331  -0.488417  -0.623008  -0.003161  -0.006441
    23  C   -0.000477   0.045622   0.057893  -0.364252  -0.000992   0.000436
    24  O    0.126362   0.015048  -0.219058   0.058795   0.078149   0.077979
    25  C    4.097466   0.002824  -0.046352  -0.013812   0.240735   0.239349
    26  H    0.002824   1.996296  -0.123832  -0.006609  -0.000505  -0.000549
    27  H   -0.046352  -0.123832   2.236120   0.015382  -0.025682  -0.024161
    28  H   -0.013812  -0.006609   0.015382   1.693877   0.000465   0.000653
    29  H    0.240735  -0.000505  -0.025682   0.000465   0.664296   0.017143
    30  H    0.239349  -0.000549  -0.024161   0.000653   0.017143   0.664678
    31  H    0.438316  -0.000212   0.061149  -0.000270  -0.166245  -0.166020
              31
     1  C   -0.001385
     2  C    0.000045
     3  C    0.000033
     4  C   -0.000000
     5  C   -0.000002
     6  C    0.000040
     7  C   -0.001921
     8  H    0.000000
     9  H   -0.000000
    10  H    0.000001
    11  C    0.000000
    12  C   -0.000000
    13  C   -0.000000
    14  H    0.000000
    15  H   -0.000000
    16  H    0.000000
    17  H   -0.000000
    18  O   -0.000000
    19  O   -0.000000
    20  H    0.000000
    21  C    0.058032
    22  C    0.019446
    23  C    0.008800
    24  O   -0.177874
    25  C    0.438316
    26  H   -0.000212
    27  H    0.061149
    28  H   -0.000270
    29  H   -0.166245
    30  H   -0.166020
    31  H    1.468648
 Mulliken charges:
               1
     1  C   -0.488984
     2  C   -0.663814
     3  C   -0.106980
     4  C   -1.262421
     5  C   -0.385206
     6  C    0.084913
     7  C   -0.088591
     8  H    0.321543
     9  H    0.451995
    10  H    0.589801
    11  C   -0.345960
    12  C    0.857660
    13  C    0.799716
    14  H    0.260522
    15  H    0.012465
    16  H    0.076411
    17  H    0.011245
    18  O   -0.516229
    19  O   -0.406471
    20  H    0.248328
    21  C    0.235602
    22  C    0.330250
    23  C   -0.324778
    24  O   -0.810665
    25  C    0.807562
    26  H    0.311075
    27  H    0.023156
    28  H    0.140898
    29  H    0.188689
    30  H    0.188845
    31  H   -0.540581
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.488984
     2  C   -0.663814
     3  C    0.214564
     4  C   -1.262421
     5  C    0.066789
     6  C    0.674714
     7  C    0.222485
    11  C   -0.085438
    12  C    0.957782
    13  C    0.799716
    18  O   -0.516229
    19  O   -0.158143
    21  C    0.258757
    22  C    0.330250
    23  C   -0.183880
    24  O   -0.810665
    25  C    0.644516
 Electronic spatial extent (au):  <R**2>=           5466.2948
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.0679    Y=              1.4954    Z=              0.9772  Tot=              5.3735
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -107.9075   YY=            -95.2320   ZZ=           -103.0407
   XY=            -21.2089   XZ=             -3.6905   YZ=             -4.8235
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.8474   YY=              6.8281   ZZ=             -0.9807
   XY=            -21.2089   XZ=             -3.6905   YZ=             -4.8235
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            208.7187  YYY=              4.1233  ZZZ=             -4.8138  XYY=             21.9003
  XXY=             25.3495  XXZ=             23.7474  XZZ=             -1.3093  YZZ=             -0.7764
  YYZ=             -0.2612  XYZ=              6.5860
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5917.0304 YYYY=           -783.5440 ZZZZ=           -441.9595 XXXY=           -484.8276
 XXXZ=            -47.0166 YYYX=            -10.6776 YYYZ=            -21.2365 ZZZX=             -0.1407
 ZZZY=              1.7577 XXYY=          -1152.9928 XXZZ=          -1087.0151 YYZZ=           -221.0964
 XXYZ=            -38.4001 YYXZ=             -7.4502 ZZXY=             -6.8938
 N-N= 1.134443911049D+03 E-N=-4.051145255873D+03  KE= 7.586716441957D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 12:26:29 2021, MaxMem=  5368709120 cpu:               3.7 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.99435487D+00 5.71604927D-01 3.45983293D-01
 Polarizability= 2.74145954D+02-1.38066658D+01 1.62745326D+02
                -8.23186857D+00-1.03438991D+01 1.13471925D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.9492    3.9464       -8.5558   -8.5621
 2     -3.9492   -3.9464        5.6521    5.6509      -60.0806  -60.0850
 3      8.5558    8.5621       87.1824   87.1859       -5.6520   -5.6509
 4     -5.6521   -5.6509        0.0000    0.0000        8.5586    8.5621
 5    -27.1019  -27.1009       -8.5586   -8.5621        3.9482    3.9464
 6      5.6520    5.6509       -3.9482   -3.9464        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -11.8392  -11.8392      -25.6862  -25.6862
 2    -16.9528  -16.9528       -0.0000    0.0000      -25.6862  -25.6862
 3    -16.9528  -16.9528      -11.8392  -11.8392        0.0000    0.0000
 4    -11.8392  -11.8392       16.9528   16.9528     -180.2551 -180.2551
 5     25.6862   25.6862      261.5577  261.5577      -16.9528  -16.9528
 6    -81.3026  -81.3026      -25.6862  -25.6862       11.8392   11.8392
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1941    0.0000      -15.8060  -15.7855       34.6143   34.2482
 2     16.4677   15.7855      -23.2080  -22.6038      240.6974  240.3401
 3    -34.4608  -34.2482     -349.2904 -348.7436       23.0130   22.6038
 4     23.0284   22.6038       -0.2737    0.0000      -34.5411  -34.2482
 5    108.2152  108.4035       34.2423   34.2482      -15.7102  -15.7855
 6    -22.7487  -22.6038       15.7392   15.7855        0.0214    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0702    0.0000      126.3258  126.1831      -18.8008  -18.8596
 2   -125.8755 -126.1831      -81.8557  -81.8842       19.2037   19.5551
 3     18.4868   18.8596       50.3837   50.8305       79.8437   81.8842
 4     81.7708   81.8842        0.0832    0.0000       18.7255   18.8596
 5    -71.0587  -70.3856      -18.6767  -18.8596      126.5176  126.1831
 6    -81.8294  -81.8842     -126.3847 -126.1831        0.1082    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.6519    4.9667      104.8326  104.1022       62.6457   62.3188
 2    152.3871  152.9403      222.0094  221.5503       62.2248   62.3188
 3    152.4665  152.9403      104.9412  104.1022       66.2307   66.5455
 4   -117.4471 -117.4481     -149.2603 -147.9736       32.3959   32.3905
 5      3.8971    4.2267       88.8255   88.1642      146.6732  147.9736
 6   -122.1535 -120.5548       -3.8041   -4.2267      116.9508  117.4481
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6085   -3.1447   -0.5678   -0.0009   -0.0004    0.0006
 Low frequencies ---   21.7276   33.7590   43.3801
 Diagonal vibrational polarizability:
      172.2891253      88.3924707     197.8956684
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     21.7222                33.7555                43.3794
 Red. masses --      4.8062                 6.9125                 4.4643
 Frc consts  --      0.0013                 0.0046                 0.0049
 IR Inten    --      4.9040                 4.2923                 0.6151
 RamAct Fr= 1--      4.4672                 3.5514                 1.4192
  Dep-P Fr= 1--      0.7404                 0.7438                 0.7420
  Dep-U Fr= 1--      0.8509                 0.8531                 0.8519
 Alpha2 Fr= 1--      0.0007                 0.0004                 0.0002
 Beta2  Fr= 1--      0.6335                 0.5050                 0.2015
 AlphaG Fr= 1--     -0.0001                 0.0077                -0.0010
 Gamma2 Fr= 1--      1.2463                -0.6009                 1.2606
 Delta2 Fr= 1--      1.3006                -0.7764                 0.2250
 Raman1 Fr= 1--      17.869                 14.206                  5.677
 ROA1   Fr= 1--     161.265                -82.534                128.217
 CID1   Fr= 1--       9.025                 -5.810                 22.586
 Raman2 Fr= 1--       7.602                  6.059                  2.418
 ROA2   Fr= 1--      19.506                 -8.211                 28.454
 CID2   Fr= 1--       2.566                 -1.355                 11.767
 Raman3 Fr= 1--      15.204                 12.119                  4.836
 ROA3   Fr= 1--     161.265                -82.534                128.217
 CID3   Fr= 1--      10.607                 -6.810                 26.512
 RC180  Fr= 1--       0.702                  0.706                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.09    -0.02   0.01   0.06     0.01  -0.04  -0.13
     2   6     0.01   0.03   0.05    -0.01  -0.01  -0.03     0.01  -0.03  -0.10
     3   6    -0.02   0.00  -0.14    -0.01   0.03   0.08     0.01  -0.05  -0.11
     4   6    -0.00   0.03  -0.07    -0.01   0.02   0.03     0.01  -0.04  -0.05
     5   6     0.02   0.06   0.07    -0.01  -0.00  -0.06     0.01  -0.03  -0.06
     6   6     0.02   0.05   0.12    -0.01  -0.02  -0.09     0.00  -0.03  -0.08
     7   6    -0.03  -0.03  -0.17    -0.02   0.02   0.12     0.02  -0.04  -0.12
     8   1    -0.04  -0.02  -0.24    -0.02   0.05   0.14     0.02  -0.05  -0.11
     9   1     0.03   0.08   0.13    -0.01  -0.01  -0.10     0.00  -0.03  -0.03
    10   1     0.04   0.08   0.23    -0.01  -0.04  -0.16    -0.00  -0.03  -0.08
    11   6    -0.01   0.04  -0.09    -0.01   0.01   0.03     0.02  -0.02   0.05
    12   6    -0.03   0.23  -0.07    -0.02  -0.04   0.02     0.14  -0.08   0.08
    13   6     0.03  -0.08   0.05     0.06   0.01  -0.01    -0.08   0.04   0.05
    14   1    -0.00  -0.01  -0.21    -0.02   0.01   0.04     0.01   0.02   0.14
    15   1    -0.03   0.28   0.04    -0.03  -0.06  -0.01     0.15  -0.12  -0.00
    16   1    -0.03   0.25  -0.07    -0.02  -0.05   0.01     0.15  -0.05   0.17
    17   1    -0.03   0.30  -0.18    -0.03  -0.06   0.05     0.22  -0.12   0.10
    18   8     0.14  -0.17   0.18     0.30  -0.28   0.07    -0.07   0.06   0.09
    19   8    -0.07  -0.08   0.00    -0.13   0.35  -0.16    -0.18   0.09  -0.01
    20   1    -0.13  -0.00  -0.11    -0.25   0.53  -0.23    -0.17   0.07  -0.05
    21   6    -0.03  -0.03  -0.12    -0.02   0.01   0.09     0.02  -0.01  -0.06
    22   6    -0.01  -0.01   0.03    -0.02  -0.02  -0.01     0.02   0.00  -0.01
    23   6     0.01   0.02   0.10    -0.01  -0.03  -0.07     0.01  -0.01  -0.04
    24   8     0.00  -0.00   0.09    -0.02  -0.04  -0.05     0.02   0.04   0.09
    25   6    -0.02  -0.03   0.02    -0.03  -0.04   0.01     0.04   0.09   0.28
    26   1    -0.05  -0.05  -0.28    -0.02   0.04   0.20     0.03  -0.05  -0.16
    27   1    -0.04  -0.06  -0.18    -0.03   0.01   0.14     0.03  -0.00  -0.05
    28   1     0.03   0.04   0.21    -0.01  -0.05  -0.14     0.01   0.00  -0.01
    29   1     0.00   0.04  -0.07    -0.05  -0.09   0.08     0.19   0.04   0.31
    30   1    -0.05  -0.13  -0.02    -0.01   0.04   0.04    -0.09   0.15   0.30
    31   1    -0.01  -0.03   0.09    -0.03  -0.06  -0.04     0.05   0.13   0.41
                      4                      5                      6
                      A                      A                      A
 Frequencies --     76.2641               113.4371               138.8649
 Red. masses --      3.9031                 4.6318                 4.1208
 Frc consts  --      0.0134                 0.0351                 0.0468
 IR Inten    --      3.9924                 0.1951                 0.1777
 RamAct Fr= 1--      1.2938                 0.8767                 1.3876
  Dep-P Fr= 1--      0.7343                 0.4981                 0.7113
  Dep-U Fr= 1--      0.8468                 0.6650                 0.8313
 Alpha2 Fr= 1--      0.0003                 0.0044                 0.0009
 Beta2  Fr= 1--      0.1826                 0.0972                 0.1923
 AlphaG Fr= 1--      0.0075                -0.0151                 0.0049
 Gamma2 Fr= 1--     -0.1178                -0.5888                 2.3506
 Delta2 Fr= 1--      0.2405                -0.4745                 1.3725
 Raman1 Fr= 1--       5.175                  3.507                  5.551
 ROA1   Fr= 1--      -3.618                -71.711                269.577
 CID1   Fr= 1--      -0.699                -20.450                 48.567
 Raman2 Fr= 1--       2.191                  1.166                  2.307
 ROA2   Fr= 1--      -4.752                -10.335                 45.433
 CID2   Fr= 1--      -2.168                 -8.864                 19.692
 Raman3 Fr= 1--       4.383                  2.332                  4.614
 ROA3   Fr= 1--      -3.618                -71.711                269.577
 CID3   Fr= 1--      -0.826                -30.751                 58.421
 RC180  Fr= 1--       0.694                  0.330                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.04   0.07  -0.08    -0.00  -0.08  -0.02
     2   6    -0.01   0.01  -0.02    -0.02   0.06  -0.09    -0.02  -0.09  -0.09
     3   6    -0.01   0.03   0.05    -0.03   0.10  -0.03    -0.00  -0.05   0.10
     4   6    -0.01   0.04   0.08    -0.02   0.10  -0.00     0.00  -0.04   0.12
     5   6    -0.00   0.04   0.10    -0.02   0.08  -0.08    -0.01  -0.07  -0.01
     6   6    -0.01   0.03   0.05    -0.02   0.06  -0.12    -0.02  -0.10  -0.11
     7   6    -0.03  -0.01  -0.06    -0.09   0.03  -0.09     0.02  -0.08  -0.09
     8   1    -0.02   0.03   0.04    -0.03   0.11  -0.00    -0.01  -0.04   0.15
     9   1     0.00   0.05   0.14    -0.02   0.09  -0.09    -0.01  -0.08  -0.03
    10   1    -0.00   0.03   0.06    -0.02   0.05  -0.16    -0.02  -0.12  -0.19
    11   6    -0.01   0.02   0.03     0.00   0.01   0.07    -0.01   0.03   0.06
    12   6    -0.09   0.02   0.01     0.12  -0.16   0.09    -0.18   0.13   0.02
    13   6     0.07  -0.01   0.00     0.09  -0.02   0.04     0.03   0.04   0.03
    14   1    -0.02   0.00  -0.00    -0.11  -0.01   0.16     0.07   0.03  -0.02
    15   1    -0.08   0.04   0.04     0.26  -0.14  -0.02    -0.27   0.15   0.14
    16   1    -0.09  -0.02  -0.05     0.13  -0.31   0.15    -0.20   0.18  -0.11
    17   1    -0.15   0.04   0.02     0.05  -0.17   0.14    -0.23   0.16   0.01
    18   8     0.06  -0.03  -0.05     0.09  -0.04  -0.01     0.03   0.02  -0.04
    19   8     0.16  -0.02   0.05     0.18  -0.04   0.09     0.09   0.09   0.05
    20   1     0.15  -0.00   0.09     0.17  -0.01   0.13     0.09   0.10   0.10
    21   6    -0.03  -0.03  -0.12    -0.09   0.00  -0.04     0.02  -0.05  -0.09
    22   6    -0.03  -0.04  -0.13    -0.05   0.00   0.03     0.00  -0.01  -0.01
    23   6    -0.02  -0.02  -0.09    -0.01   0.02  -0.03    -0.03  -0.06  -0.07
    24   8    -0.03  -0.06  -0.19    -0.03  -0.03   0.19     0.01   0.10   0.19
    25   6    -0.01   0.04   0.26    -0.11  -0.14  -0.00     0.06   0.10  -0.05
    26   1    -0.04  -0.00  -0.05    -0.13   0.04  -0.12     0.05  -0.10  -0.12
    27   1    -0.04  -0.05  -0.16    -0.11  -0.01  -0.02     0.04  -0.04  -0.12
    28   1    -0.01  -0.03  -0.09     0.03   0.01  -0.01    -0.05  -0.04  -0.06
    29   1     0.18  -0.16   0.43    -0.17   0.01  -0.16     0.14   0.28  -0.28
    30   1    -0.20   0.30   0.35    -0.15  -0.33  -0.08     0.03  -0.18  -0.16
    31   1    -0.00   0.05   0.34    -0.08  -0.19   0.08     0.04   0.21   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    184.4744               202.9675               219.6740
 Red. masses --      3.3745                 3.9677                 1.0781
 Frc consts  --      0.0677                 0.0963                 0.0307
 IR Inten    --      0.9195                 1.8739                 0.3439
 RamAct Fr= 1--      0.0356                 1.4812                 0.2761
  Dep-P Fr= 1--      0.2616                 0.5674                 0.2323
  Dep-U Fr= 1--      0.4147                 0.7240                 0.3770
 Alpha2 Fr= 1--      0.0004                 0.0051                 0.0034
 Beta2  Fr= 1--      0.0025                 0.1787                 0.0173
 AlphaG Fr= 1--      0.0025                 0.0054                 0.0008
 Gamma2 Fr= 1--     -0.1837                -2.2676                 0.0632
 Delta2 Fr= 1--      0.0555                -1.2619                -0.0037
 Raman1 Fr= 1--       0.143                  5.925                  1.104
 ROA1   Fr= 1--     -15.861               -258.073                  5.947
 CID1   Fr= 1--    -111.260                -43.558                  5.386
 Raman2 Fr= 1--       0.030                  2.145                  0.208
 ROA2   Fr= 1--      -4.854                -44.328                  1.546
 CID2   Fr= 1--    -164.211                -20.667                  7.425
 Raman3 Fr= 1--       0.059                  4.290                  0.416
 ROA3   Fr= 1--     -15.861               -258.073                  5.947
 CID3   Fr= 1--    -268.299                -60.161                 14.285
 RC180  Fr= 1--      -0.171                  0.448                 -0.246
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.14    -0.07  -0.09   0.01    -0.01  -0.00   0.00
     2   6    -0.02  -0.05  -0.14    -0.06  -0.08   0.07    -0.01  -0.00   0.00
     3   6    -0.02  -0.05  -0.18    -0.07  -0.03  -0.06    -0.01   0.00  -0.00
     4   6    -0.00  -0.00   0.01    -0.01   0.02  -0.08     0.00   0.01  -0.00
     5   6     0.01   0.05   0.20     0.00   0.00  -0.09     0.00   0.01  -0.00
     6   6     0.00   0.01   0.06     0.01  -0.05  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.05    -0.07  -0.09   0.01    -0.01  -0.00   0.00
     8   1    -0.03  -0.07  -0.28    -0.14  -0.01  -0.07    -0.01   0.00  -0.01
     9   1     0.03   0.10   0.42     0.02   0.00  -0.14     0.00   0.01  -0.00
    10   1     0.01   0.03   0.16     0.07  -0.07   0.01     0.01  -0.00  -0.00
    11   6    -0.00   0.01   0.01     0.02   0.06  -0.01     0.00   0.02  -0.01
    12   6    -0.01   0.02   0.01     0.19   0.06   0.04    -0.01  -0.03  -0.02
    13   6     0.02   0.01   0.01     0.06   0.04   0.00     0.01   0.02  -0.00
    14   1     0.00   0.01   0.00    -0.02   0.05   0.02     0.02   0.03   0.01
    15   1    -0.00   0.03   0.02     0.35   0.13   0.02    -0.47  -0.34  -0.21
    16   1    -0.01   0.01  -0.00     0.21  -0.06   0.17    -0.04   0.52   0.03
    17   1    -0.03   0.03   0.00     0.17   0.12  -0.04     0.47  -0.31   0.12
    18   8     0.01   0.00  -0.01     0.07   0.02  -0.02     0.03   0.01   0.03
    19   8     0.04   0.01   0.01     0.12   0.04   0.03     0.02  -0.02   0.01
    20   1     0.04   0.01   0.03     0.11   0.05   0.06     0.01  -0.01  -0.01
    21   6     0.01   0.04   0.20    -0.05  -0.08   0.04    -0.01  -0.01   0.00
    22   6    -0.01  -0.01   0.01    -0.08  -0.07   0.06    -0.01  -0.01   0.00
    23   6    -0.02  -0.05  -0.18    -0.08  -0.07   0.14    -0.01  -0.01   0.00
    24   8    -0.01   0.02   0.04    -0.11   0.04  -0.07    -0.01   0.00   0.00
    25   6     0.00   0.02  -0.02     0.05   0.19  -0.05     0.00   0.02  -0.00
    26   1     0.01   0.02   0.14    -0.07  -0.10  -0.01    -0.01  -0.00   0.00
    27   1     0.03   0.10   0.44    -0.04  -0.08   0.02    -0.01  -0.01   0.00
    28   1    -0.03  -0.07  -0.26    -0.08  -0.06   0.17    -0.01  -0.01  -0.00
    29   1    -0.17  -0.06   0.11     0.06   0.06   0.09     0.01   0.02  -0.01
    30   1     0.21   0.14   0.04     0.24   0.34   0.02     0.00   0.01  -0.01
    31   1    -0.02  -0.03  -0.28    -0.03   0.30  -0.25    -0.00   0.03  -0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    232.5275               252.8526               278.9220
 Red. masses --      1.5312                 2.6408                 2.7921
 Frc consts  --      0.0488                 0.0995                 0.1280
 IR Inten    --      0.3953                 4.3300                 1.5316
 RamAct Fr= 1--      1.4598                 2.4001                 3.1191
  Dep-P Fr= 1--      0.7409                 0.1388                 0.3669
  Dep-U Fr= 1--      0.8512                 0.2438                 0.5368
 Alpha2 Fr= 1--      0.0002                 0.0382                 0.0259
 Beta2  Fr= 1--      0.2071                 0.0975                 0.2791
 AlphaG Fr= 1--      0.0000                -0.0147                 0.0616
 Gamma2 Fr= 1--      0.8303                -0.8991                 1.3632
 Delta2 Fr= 1--      0.1687                -0.0032                 0.3111
 Raman1 Fr= 1--       5.839                  9.601                 12.477
 ROA1   Fr= 1--      85.108                -86.414                140.826
 CID1   Fr= 1--      14.575                 -9.001                 11.287
 Raman2 Fr= 1--       2.485                  1.170                  3.349
 ROA2   Fr= 1--      18.578                -21.552                 30.229
 CID2   Fr= 1--       7.476                -18.417                  9.027
 Raman3 Fr= 1--       4.970                  2.341                  6.697
 ROA3   Fr= 1--      85.108                -86.414                140.826
 CID3   Fr= 1--      17.124                -36.921                 21.027
 RC180  Fr= 1--       0.702                 -0.512                  0.074
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.05    -0.01   0.02   0.00     0.00   0.01   0.10
     2   6    -0.01  -0.01  -0.01     0.03  -0.00  -0.01    -0.02  -0.01  -0.01
     3   6    -0.01   0.03   0.02    -0.02   0.09   0.03     0.02   0.02   0.16
     4   6     0.00   0.03  -0.01    -0.01   0.10   0.02     0.03  -0.01   0.02
     5   6     0.02   0.04   0.05     0.04   0.08  -0.01     0.00   0.00   0.06
     6   6     0.02   0.02   0.05     0.05   0.03  -0.02    -0.00   0.01   0.06
     7   6    -0.02  -0.00   0.07    -0.04  -0.01  -0.03    -0.00  -0.01  -0.01
     8   1    -0.04   0.04   0.02    -0.05   0.11   0.05     0.01   0.04   0.23
     9   1     0.03   0.06   0.08     0.08   0.11  -0.03    -0.01  -0.00   0.07
    10   1     0.04   0.01   0.07     0.09   0.01  -0.04     0.01   0.01   0.08
    11   6     0.01   0.01  -0.04    -0.03   0.05  -0.02     0.04  -0.02  -0.05
    12   6     0.06  -0.02  -0.03    -0.12  -0.14  -0.06     0.14   0.05  -0.02
    13   6    -0.00  -0.00  -0.02    -0.02   0.02  -0.00     0.01  -0.02  -0.04
    14   1    -0.02   0.01  -0.02    -0.06   0.05   0.03     0.04  -0.03  -0.07
    15   1     0.13   0.00  -0.05    -0.03  -0.13  -0.12     0.17   0.06  -0.02
    16   1     0.07  -0.09   0.02    -0.12  -0.33  -0.18     0.15   0.09   0.10
    17   1     0.03  -0.01  -0.03    -0.31  -0.16   0.08     0.24   0.06  -0.10
    18   8     0.00   0.01   0.01     0.01   0.01   0.08    -0.00   0.01  -0.02
    19   8    -0.03  -0.04  -0.03    -0.06  -0.07  -0.00    -0.04  -0.04  -0.07
    20   1    -0.03  -0.04  -0.06    -0.08  -0.04  -0.08    -0.03  -0.06  -0.11
    21   6    -0.02  -0.03   0.01    -0.02  -0.07  -0.02    -0.01  -0.02  -0.11
    22   6    -0.02  -0.04  -0.04     0.02  -0.07   0.02    -0.03  -0.00  -0.07
    23   6    -0.01  -0.05  -0.08     0.04  -0.06  -0.00    -0.04  -0.03  -0.14
    24   8    -0.02   0.01   0.02     0.01  -0.02   0.04    -0.03   0.05   0.13
    25   6     0.03   0.05  -0.02     0.15   0.09  -0.03    -0.06   0.00   0.02
    26   1    -0.03   0.01   0.11    -0.08  -0.00  -0.04     0.00  -0.02  -0.00
    27   1    -0.02  -0.03   0.00    -0.04  -0.09  -0.01    -0.01  -0.02  -0.15
    28   1    -0.01  -0.06  -0.12     0.07  -0.08   0.01    -0.05  -0.03  -0.17
    29   1     0.38   0.28  -0.36     0.03  -0.05   0.15    -0.39  -0.12   0.25
    30   1    -0.28  -0.31  -0.18     0.45   0.25   0.06     0.25   0.22   0.12
    31   1     0.04   0.23   0.49     0.07   0.14  -0.36    -0.08  -0.14  -0.42
                     13                     14                     15
                      A                      A                      A
 Frequencies --    309.4119               379.9418               405.6269
 Red. masses --      4.0225                 5.2758                 4.7443
 Frc consts  --      0.2269                 0.4487                 0.4599
 IR Inten    --      7.8900                 1.8029                 2.6533
 RamAct Fr= 1--     10.1406                 4.9119                 0.6199
  Dep-P Fr= 1--      0.1528                 0.4723                 0.6362
  Dep-U Fr= 1--      0.2652                 0.6416                 0.7776
 Alpha2 Fr= 1--      0.1556                 0.0274                 0.0013
 Beta2  Fr= 1--      0.4481                 0.5252                 0.0803
 AlphaG Fr= 1--      0.0153                -0.1220                 0.0208
 Gamma2 Fr= 1--      0.6005                -4.0992                -0.6431
 Delta2 Fr= 1--      0.5465                -0.0845                -0.4399
 Raman1 Fr= 1--      40.562                 19.648                  2.479
 ROA1   Fr= 1--      75.131               -396.224                -75.816
 CID1   Fr= 1--       1.852                -20.166                -30.578
 Raman2 Fr= 1--       5.378                  6.303                  0.964
 ROA2   Fr= 1--      10.039                -97.704                -11.916
 CID2   Fr= 1--       1.867                -15.501                -12.361
 Raman3 Fr= 1--      10.755                 12.606                  1.928
 ROA3   Fr= 1--      75.131               -396.224                -75.816
 CID3   Fr= 1--       6.986                -31.432                -39.322
 RC180  Fr= 1--      -0.470                  0.283                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.09  -0.00    -0.07  -0.07   0.10    -0.04  -0.12  -0.03
     2   6     0.03   0.07  -0.01    -0.02  -0.09   0.10     0.01  -0.15  -0.05
     3   6    -0.01   0.07  -0.00    -0.13  -0.02  -0.06    -0.08   0.10   0.10
     4   6    -0.07   0.02  -0.02    -0.12   0.01  -0.16    -0.03   0.18   0.11
     5   6    -0.05   0.03  -0.00    -0.02  -0.02  -0.10     0.09   0.14   0.08
     6   6    -0.03   0.05   0.01     0.01  -0.07   0.15     0.11  -0.10  -0.10
     7   6    -0.04   0.05  -0.00     0.07   0.01   0.07     0.05  -0.08  -0.08
     8   1     0.03   0.06   0.01    -0.19  -0.00  -0.07    -0.21   0.16   0.13
     9   1    -0.03   0.04  -0.01     0.05   0.03  -0.16     0.22   0.24   0.11
    10   1    -0.07   0.07   0.02     0.06  -0.07   0.26     0.24  -0.17  -0.18
    11   6    -0.09  -0.08   0.05    -0.16   0.15  -0.06    -0.08   0.06   0.01
    12   6     0.06   0.12   0.12     0.00  -0.05  -0.05     0.04   0.03   0.06
    13   6    -0.09  -0.10   0.01    -0.11   0.09   0.02    -0.06  -0.04  -0.04
    14   1    -0.14  -0.12   0.01    -0.15   0.18   0.02    -0.15   0.03   0.03
    15   1    -0.06   0.07   0.16     0.13  -0.08  -0.25     0.08   0.00  -0.02
    16   1     0.06   0.37   0.30     0.02  -0.18   0.05     0.05   0.07   0.21
    17   1     0.33   0.11  -0.03    -0.02  -0.11   0.06     0.16  -0.00   0.03
    18   8    -0.12  -0.16  -0.17     0.00  -0.07   0.03    -0.05  -0.10  -0.10
    19   8     0.00   0.05   0.03     0.09   0.05   0.14    -0.07  -0.08  -0.04
    20   1     0.01   0.05   0.16    -0.00   0.21   0.20    -0.09  -0.05  -0.10
    21   6    -0.03  -0.04  -0.01     0.07   0.08  -0.09     0.07   0.06   0.05
    22   6     0.04  -0.07  -0.00     0.10   0.07  -0.13     0.07   0.08   0.09
    23   6     0.06  -0.03  -0.02    -0.01  -0.02  -0.11    -0.00  -0.01   0.09
    24   8     0.06  -0.09   0.04     0.15   0.05   0.05     0.06   0.09  -0.09
    25   6     0.21   0.02  -0.01     0.05  -0.08   0.03    -0.08  -0.02  -0.00
    26   1    -0.10   0.08  -0.00     0.22  -0.04   0.12     0.16  -0.14  -0.15
    27   1    -0.07  -0.08  -0.00     0.07   0.09  -0.10     0.08   0.07   0.05
    28   1     0.12  -0.06  -0.03    -0.16   0.04  -0.14    -0.12   0.04   0.09
    29   1     0.28  -0.01  -0.00    -0.09  -0.07   0.05    -0.14   0.00  -0.01
    30   1     0.34   0.01  -0.01     0.05  -0.05   0.04    -0.25  -0.01  -0.01
    31   1     0.14   0.16  -0.09     0.10  -0.20  -0.04    -0.00  -0.17   0.11
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.9166               417.0567               483.6631
 Red. masses --      5.0462                 3.2451                 3.9238
 Frc consts  --      0.5094                 0.3326                 0.5408
 IR Inten    --      5.1257                 0.3325                 3.9036
 RamAct Fr= 1--      0.8541                 3.0318                 2.0706
  Dep-P Fr= 1--      0.7185                 0.7443                 0.6175
  Dep-U Fr= 1--      0.8362                 0.8534                 0.7636
 Alpha2 Fr= 1--      0.0005                 0.0003                 0.0050
 Beta2  Fr= 1--      0.1190                 0.4312                 0.2635
 AlphaG Fr= 1--      0.0028                -0.0027                 0.0098
 Gamma2 Fr= 1--     -0.0534                 0.2687                -0.4014
 Delta2 Fr= 1--     -0.6504                -0.2595                -0.1083
 Raman1 Fr= 1--       3.416                 12.127                  8.282
 ROA1   Fr= 1--     -25.934                 17.494                -42.004
 CID1   Fr= 1--      -7.591                  1.443                 -5.072
 Raman2 Fr= 1--       1.428                  5.175                  3.162
 ROA2   Fr= 1--       3.922                  8.526                 -8.767
 CID2   Fr= 1--       2.746                  1.648                 -2.773
 Raman3 Fr= 1--       2.857                 10.349                  6.324
 ROA3   Fr= 1--     -25.934                 17.494                -42.004
 CID3   Fr= 1--      -9.078                  1.690                 -6.642
 RC180  Fr= 1--       0.672                  0.707                  0.527
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.00  -0.03    -0.00   0.01   0.08    -0.06  -0.07  -0.03
     2   6    -0.09  -0.00  -0.05    -0.01  -0.02  -0.04    -0.06  -0.05   0.07
     3   6    -0.09  -0.06   0.11    -0.02  -0.03  -0.15    -0.07   0.03  -0.08
     4   6    -0.08  -0.05   0.12    -0.00   0.01   0.03    -0.01   0.08  -0.02
     5   6    -0.15  -0.07   0.12     0.01   0.04   0.15    -0.04   0.07  -0.14
     6   6    -0.17  -0.05  -0.06    -0.01  -0.05  -0.18    -0.01   0.01   0.10
     7   6    -0.03   0.05  -0.08     0.02   0.05   0.22     0.01  -0.01   0.06
     8   1    -0.05  -0.07   0.12    -0.04  -0.09  -0.38    -0.18   0.09  -0.03
     9   1    -0.19  -0.10   0.18     0.02   0.08   0.29    -0.01   0.07  -0.26
    10   1    -0.25  -0.03  -0.13    -0.01  -0.09  -0.35     0.09  -0.02   0.17
    11   6    -0.04   0.07  -0.05    -0.00   0.00   0.00     0.06  -0.10   0.13
    12   6     0.10   0.02  -0.04     0.00   0.01   0.01    -0.08   0.02   0.18
    13   6     0.05   0.09  -0.08     0.00  -0.00  -0.01     0.15  -0.05  -0.01
    14   1     0.03   0.11  -0.02    -0.01   0.00   0.00    -0.08  -0.17   0.14
    15   1     0.24   0.04  -0.12     0.02   0.01   0.01    -0.21   0.05   0.39
    16   1     0.12  -0.05   0.15     0.01   0.01   0.03    -0.09   0.14   0.05
    17   1     0.15   0.03  -0.08     0.01   0.01   0.00    -0.09   0.09   0.09
    18   8     0.11   0.10   0.07     0.00   0.00  -0.01     0.06   0.10  -0.01
    19   8     0.02  -0.08  -0.09    -0.00  -0.02  -0.01    -0.06  -0.05  -0.15
    20   1    -0.02  -0.04  -0.24    -0.02   0.01  -0.04     0.16  -0.39  -0.17
    21   6    -0.02   0.11   0.02    -0.01  -0.04  -0.18     0.00   0.05  -0.03
    22   6     0.05   0.07   0.06     0.00  -0.02  -0.08     0.02   0.02  -0.10
    23   6    -0.03   0.06   0.05     0.01   0.03   0.11    -0.05  -0.01  -0.02
    24   8     0.12  -0.12  -0.03     0.01   0.01   0.04     0.06   0.00   0.03
    25   6     0.22  -0.09   0.00     0.00  -0.00   0.01     0.05  -0.04   0.01
    26   1     0.03   0.01  -0.13     0.04   0.10   0.43     0.09  -0.01   0.19
    27   1    -0.03   0.10   0.02    -0.02  -0.07  -0.31     0.02   0.08   0.06
    28   1    -0.11   0.09   0.05     0.01   0.08   0.32    -0.14   0.05   0.05
    29   1     0.32  -0.09  -0.02    -0.06  -0.02   0.04     0.02  -0.03   0.01
    30   1     0.24  -0.10  -0.00     0.06   0.03   0.02     0.06  -0.04   0.01
    31   1     0.17   0.03   0.02     0.00  -0.03  -0.08     0.06  -0.05  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    484.0774               518.1040               534.9537
 Red. masses --      2.5924                 2.8962                 5.9310
 Frc consts  --      0.3579                 0.4581                 1.0000
 IR Inten    --     15.9038                35.9439                 4.1766
 RamAct Fr= 1--      0.1660                 2.7636                16.4708
  Dep-P Fr= 1--      0.7393                 0.7500                 0.3575
  Dep-U Fr= 1--      0.8501                 0.8571                 0.5267
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1411
 Beta2  Fr= 1--      0.0235                 0.3948                 1.4459
 AlphaG Fr= 1--     -0.0003                -0.0010                -0.0698
 Gamma2 Fr= 1--     -0.5151                 1.0868                 0.1523
 Delta2 Fr= 1--      0.1080                 0.3692                -0.0116
 Raman1 Fr= 1--       0.664                 11.055                 65.883
 ROA1   Fr= 1--     -45.999                116.143                 14.253
 CID1   Fr= 1--     -69.281                 10.506                  0.216
 Raman2 Fr= 1--       0.282                  4.738                 17.351
 ROA2   Fr= 1--     -13.227                 23.129                  3.749
 CID2   Fr= 1--     -46.871                  4.882                  0.216
 Raman3 Fr= 1--       0.564                  9.475                 34.702
 ROA3   Fr= 1--     -45.999                116.143                 14.253
 CID3   Fr= 1--     -81.499                 12.258                  0.411
 RC180  Fr= 1--       0.700                  0.714                  0.053
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.20    -0.01  -0.04   0.04     0.12  -0.00  -0.01
     2   6     0.01   0.04   0.19    -0.07  -0.04  -0.02    -0.09   0.07  -0.01
     3   6    -0.02  -0.02  -0.12    -0.01   0.04   0.02     0.07   0.10  -0.02
     4   6     0.00   0.02   0.03     0.02   0.05  -0.04    -0.06   0.05  -0.01
     5   6     0.00   0.02   0.04    -0.05   0.11   0.04    -0.25   0.12  -0.01
     6   6    -0.00  -0.02  -0.09    -0.04   0.00  -0.04    -0.23   0.10  -0.01
     7   6    -0.01  -0.02  -0.10     0.03  -0.04  -0.01     0.21  -0.05  -0.00
     8   1    -0.05  -0.10  -0.45    -0.10   0.08   0.05     0.04   0.10  -0.03
     9   1     0.00  -0.00  -0.07    -0.04   0.12   0.10    -0.31   0.07   0.01
    10   1    -0.01  -0.10  -0.40     0.03  -0.03  -0.05    -0.26   0.11  -0.00
    11   6     0.01  -0.01   0.02     0.06  -0.12  -0.07    -0.06   0.03  -0.00
    12   6    -0.01   0.00   0.03     0.03  -0.02  -0.14    -0.00   0.01   0.02
    13   6     0.02  -0.00  -0.00     0.05  -0.13   0.08    -0.01   0.05  -0.04
    14   1    -0.01  -0.02   0.02    -0.05  -0.24  -0.21    -0.06   0.05   0.04
    15   1    -0.01   0.01   0.05    -0.04  -0.03  -0.08     0.05   0.02  -0.01
    16   1    -0.01   0.02   0.02     0.02   0.01  -0.21     0.01   0.00   0.10
    17   1    -0.01   0.01   0.01     0.02  -0.02  -0.15     0.04   0.02  -0.01
    18   8     0.01   0.01  -0.01    -0.07   0.03   0.07     0.03   0.02   0.02
    19   8    -0.01  -0.02  -0.02     0.00   0.16   0.03     0.02  -0.03  -0.02
    20   1    -0.03   0.02  -0.06     0.40  -0.40   0.50    -0.09   0.12  -0.13
    21   6     0.00   0.02   0.05     0.02   0.02  -0.00     0.26  -0.23   0.04
    22   6     0.01   0.02   0.07     0.01   0.04   0.04     0.07  -0.14   0.03
    23   6    -0.01  -0.03  -0.12    -0.06  -0.00   0.02    -0.04  -0.17   0.04
    24   8     0.01  -0.00  -0.01     0.02  -0.03  -0.01     0.04   0.08  -0.02
    25   6     0.00  -0.00   0.00     0.04  -0.03   0.00    -0.08  -0.00   0.01
    26   1    -0.02  -0.11  -0.44     0.07  -0.07  -0.07     0.13  -0.02  -0.01
    27   1    -0.01  -0.02  -0.11     0.05   0.03  -0.08     0.21  -0.26   0.05
    28   1    -0.04  -0.11  -0.47    -0.12   0.02  -0.02     0.12  -0.24   0.05
    29   1     0.01  -0.01   0.01     0.06  -0.04   0.00    -0.18   0.01   0.01
    30   1    -0.00   0.00   0.00     0.05  -0.03   0.00    -0.18   0.01   0.01
    31   1     0.01  -0.01   0.00     0.03  -0.01   0.00    -0.00  -0.16   0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    562.1624               583.2299               600.4842
 Red. masses --      1.8005                 2.5737                 2.7697
 Frc consts  --      0.3353                 0.5158                 0.5884
 IR Inten    --     22.6008                39.0534                 2.6734
 RamAct Fr= 1--      5.2487                 4.5967                 4.1176
  Dep-P Fr= 1--      0.4981                 0.1874                 0.4760
  Dep-U Fr= 1--      0.6650                 0.3156                 0.6450
 Alpha2 Fr= 1--      0.0262                 0.0645                 0.0226
 Beta2  Fr= 1--      0.5817                 0.2418                 0.4426
 AlphaG Fr= 1--     -0.1617                 0.2089                 0.0586
 Gamma2 Fr= 1--      3.8419                -0.1451                -0.0890
 Delta2 Fr= 1--      2.2462                -1.2455                 0.1538
 Raman1 Fr= 1--      20.995                 18.387                 16.470
 ROA1   Fr= 1--     440.697                -53.787                 -3.619
 CID1   Fr= 1--      20.991                 -2.925                 -0.220
 Raman2 Fr= 1--       6.980                  2.902                  5.312
 ROA2   Fr= 1--      74.236                  6.481                 -3.365
 CID2   Fr= 1--      10.635                  2.234                 -0.633
 Raman3 Fr= 1--      13.961                  5.803                 10.623
 ROA3   Fr= 1--     440.697                -53.787                 -3.619
 CID3   Fr= 1--      31.567                 -9.269                 -0.341
 RC180  Fr= 1--       0.330                 -0.369                  0.290
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06   0.01    -0.09   0.05   0.01     0.03   0.02   0.09
     2   6    -0.05  -0.02  -0.00     0.00  -0.02  -0.03     0.01  -0.04  -0.15
     3   6     0.04   0.02   0.00    -0.07  -0.01   0.02     0.01   0.02  -0.00
     4   6     0.06   0.03  -0.02    -0.03  -0.02  -0.04    -0.03  -0.04  -0.19
     5   6    -0.02   0.07  -0.02     0.01  -0.02   0.01     0.00  -0.00   0.01
     6   6    -0.02   0.02  -0.00     0.02  -0.00  -0.00     0.00  -0.02   0.00
     7   6     0.05  -0.06   0.01    -0.09   0.08  -0.01     0.01  -0.01   0.06
     8   1    -0.04   0.04  -0.01    -0.06  -0.01   0.04     0.03   0.06   0.20
     9   1    -0.03   0.07   0.01     0.03   0.01   0.09     0.04   0.10   0.37
    10   1     0.06  -0.00   0.03     0.01   0.02   0.07     0.03   0.07   0.36
    11   6     0.07  -0.03   0.01     0.03  -0.13  -0.01    -0.02   0.00   0.04
    12   6     0.00  -0.00  -0.02     0.00  -0.01  -0.02    -0.04  -0.00   0.09
    13   6    -0.00  -0.02   0.02     0.06  -0.08   0.02    -0.00   0.04  -0.02
    14   1     0.05  -0.04   0.01    -0.06  -0.18  -0.06    -0.03   0.03   0.11
    15   1    -0.06  -0.00   0.04    -0.05   0.02   0.10    -0.08   0.01   0.15
    16   1    -0.01   0.02  -0.11    -0.00   0.06  -0.05    -0.05   0.02   0.04
    17   1    -0.04   0.01  -0.01     0.02   0.04  -0.11    -0.07   0.02   0.08
    18   8    -0.03   0.00  -0.03    -0.03   0.08   0.04     0.04   0.01   0.00
    19   8     0.02  -0.03   0.05     0.06   0.02   0.01     0.00  -0.02  -0.03
    20   1    -0.47   0.68  -0.31    -0.37   0.64  -0.25     0.07  -0.11  -0.02
    21   6     0.02   0.04  -0.01    -0.05  -0.02   0.00    -0.00  -0.01  -0.06
    22   6    -0.05   0.05  -0.01     0.09  -0.04   0.04    -0.00   0.07   0.23
    23   6    -0.06   0.06  -0.01     0.03  -0.10   0.02     0.01   0.02  -0.03
    24   8    -0.04  -0.08   0.02     0.11   0.12  -0.04    -0.03  -0.03  -0.04
    25   6     0.05  -0.03   0.00    -0.02   0.01  -0.00    -0.00   0.00  -0.01
    26   1     0.09  -0.08   0.02    -0.12   0.08  -0.05     0.00  -0.08  -0.23
    27   1     0.11   0.11  -0.04    -0.19  -0.14  -0.03    -0.00  -0.10  -0.54
    28   1    -0.12   0.08  -0.00     0.03  -0.11  -0.00    -0.00  -0.04  -0.27
    29   1     0.13  -0.04  -0.00    -0.15   0.03   0.01     0.04  -0.02   0.01
    30   1     0.13  -0.04   0.00    -0.15   0.04  -0.00     0.01   0.02   0.00
    31   1    -0.01   0.10  -0.02     0.06  -0.18   0.04    -0.02   0.04  -0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    630.3657               690.0618               697.3935
 Red. masses --      5.1648                 3.8696                 4.9659
 Frc consts  --      1.2092                 1.0856                 1.4230
 IR Inten    --      0.7329                 9.4380                 2.4551
 RamAct Fr= 1--      0.6941                 3.4132                 1.2552
  Dep-P Fr= 1--      0.7172                 0.1370                 0.1057
  Dep-U Fr= 1--      0.8353                 0.2410                 0.1912
 Alpha2 Fr= 1--      0.0004                 0.0545                 0.0217
 Beta2  Fr= 1--      0.0966                 0.1371                 0.0400
 AlphaG Fr= 1--      0.0129                -0.3125                 0.0225
 Gamma2 Fr= 1--      0.7531                -0.3366                -1.2367
 Delta2 Fr= 1--      0.1550                 0.8123                -0.4776
 Raman1 Fr= 1--       2.776                 13.653                  5.021
 ROA1   Fr= 1--      77.258                 -6.318               -134.002
 CID1   Fr= 1--      27.828                 -0.463                -26.689
 Raman2 Fr= 1--       1.159                  1.645                  0.480
 ROA2   Fr= 1--      16.835                -14.577                -25.859
 CID2   Fr= 1--      14.519                 -8.859                -53.868
 Raman3 Fr= 1--       2.319                  3.291                  0.960
 ROA3   Fr= 1--      77.258                 -6.318               -134.002
 CID3   Fr= 1--      33.315                 -1.920               -139.571
 RC180  Fr= 1--       0.671                 -0.518                 -0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.01   0.02     0.02  -0.03  -0.11    -0.05  -0.00  -0.07
     2   6    -0.17   0.03  -0.02     0.03  -0.02  -0.03    -0.05   0.02  -0.02
     3   6    -0.06  -0.18   0.03     0.03   0.04  -0.08    -0.09  -0.11  -0.00
     4   6     0.16  -0.05  -0.01     0.01   0.07   0.24    -0.01   0.01   0.16
     5   6     0.07   0.04  -0.03    -0.08  -0.03  -0.08     0.14  -0.01  -0.05
     6   6     0.02   0.23  -0.05    -0.05  -0.06   0.13     0.13   0.16   0.02
     7   6    -0.00   0.12  -0.01    -0.04  -0.02   0.14     0.15   0.16   0.03
     8   1    -0.11  -0.15   0.07     0.02  -0.00  -0.25    -0.09  -0.15  -0.13
     9   1    -0.11  -0.08   0.06    -0.07  -0.10  -0.45     0.10  -0.09  -0.31
    10   1     0.08   0.22   0.03    -0.08  -0.07   0.05     0.15   0.13  -0.07
    11   6     0.17   0.11   0.05     0.04   0.05  -0.00    -0.13  -0.05  -0.04
    12   6     0.02   0.01  -0.02     0.04   0.01  -0.09    -0.03  -0.01   0.03
    13   6    -0.02   0.07   0.06     0.06  -0.03   0.07    -0.06  -0.07  -0.10
    14   1     0.28   0.17   0.08     0.05   0.01  -0.11    -0.14  -0.06  -0.05
    15   1    -0.09  -0.06  -0.05     0.08  -0.02  -0.21     0.10   0.05   0.02
    16   1     0.00  -0.05  -0.30     0.05  -0.04  -0.06    -0.00   0.01   0.32
    17   1    -0.16  -0.07   0.20     0.05  -0.05  -0.01     0.13   0.04  -0.12
    18   8     0.02  -0.10  -0.15    -0.00  -0.01  -0.06    -0.06   0.02   0.14
    19   8    -0.11  -0.03   0.09    -0.06   0.00   0.05     0.11   0.03  -0.11
    20   1     0.06  -0.30   0.03    -0.06  -0.02  -0.06     0.03   0.19   0.14
    21   6     0.02  -0.00  -0.02    -0.06  -0.04  -0.10     0.14   0.01  -0.08
    22   6     0.04  -0.02   0.06     0.02   0.06   0.21    -0.02   0.01   0.12
    23   6    -0.15  -0.14   0.03     0.04   0.02  -0.07    -0.09  -0.07  -0.02
    24   8     0.08   0.04  -0.02     0.03   0.02  -0.04    -0.10  -0.10   0.01
    25   6     0.05  -0.04   0.01     0.00   0.00  -0.01    -0.02  -0.00  -0.00
    26   1    -0.00   0.11  -0.06    -0.07  -0.02   0.14     0.21   0.14   0.05
    27   1    -0.09  -0.11  -0.11    -0.08  -0.12  -0.44     0.13  -0.02  -0.24
    28   1    -0.20  -0.14  -0.04     0.04  -0.05  -0.34    -0.09  -0.11  -0.16
    29   1    -0.01  -0.03   0.01    -0.02  -0.00   0.01     0.09  -0.03  -0.00
    30   1    -0.02  -0.02   0.01    -0.05   0.03  -0.00     0.08  -0.01   0.00
    31   1     0.08  -0.12   0.02     0.02  -0.05   0.00    -0.09   0.15  -0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    737.6486               777.4397               783.6471
 Red. masses --      5.6038                 3.3565                 3.1645
 Frc consts  --      1.7965                 1.1953                 1.1450
 IR Inten    --      6.3277                 1.8537                 1.4997
 RamAct Fr= 1--     17.5440                34.6528                29.0705
  Dep-P Fr= 1--      0.0547                 0.0802                 0.0959
  Dep-U Fr= 1--      0.1037                 0.1486                 0.1750
 Alpha2 Fr= 1--      0.3427                 0.6366                 0.5141
 Beta2  Fr= 1--      0.3033                 0.8581                 0.8478
 AlphaG Fr= 1--     -0.1052                 0.1093                -0.2061
 Gamma2 Fr= 1--     -2.0202                 1.6773                -0.0189
 Delta2 Fr= 1--      0.0581                -0.2113                 0.8063
 Raman1 Fr= 1--      70.176                138.611                116.282
 ROA1   Fr= 1--    -192.080                154.256                 23.989
 CID1   Fr= 1--      -2.737                  1.113                  0.206
 Raman2 Fr= 1--       3.640                 10.297                 10.174
 ROA2   Fr= 1--     -48.950                 41.944                 -6.903
 CID2   Fr= 1--     -13.447                  4.073                 -0.679
 Raman3 Fr= 1--       7.280                 20.594                 20.347
 ROA3   Fr= 1--    -192.080                154.256                 23.989
 CID3   Fr= 1--     -26.384                  7.490                  1.179
 RC180  Fr= 1--      -0.793                 -0.703                 -0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.08   0.03    -0.01   0.03  -0.17    -0.02  -0.09  -0.14
     2   6     0.04  -0.03  -0.01    -0.01  -0.04   0.18     0.03   0.11   0.16
     3   6    -0.10   0.02  -0.00     0.05   0.10   0.01    -0.06  -0.07   0.06
     4   6    -0.11   0.01  -0.04     0.01   0.00  -0.08    -0.03  -0.04  -0.11
     5   6     0.02  -0.09   0.01    -0.02   0.02   0.08     0.03   0.01   0.07
     6   6     0.01  -0.13   0.01    -0.03  -0.17   0.01     0.02   0.12  -0.09
     7   6     0.15   0.22  -0.08     0.02   0.17  -0.02    -0.01  -0.13   0.04
     8   1    -0.05   0.01   0.04     0.09   0.15   0.25    -0.07   0.01   0.35
     9   1     0.13   0.02   0.13     0.06   0.06  -0.05    -0.04  -0.04   0.11
    10   1    -0.04  -0.08   0.13     0.03  -0.26  -0.24    -0.06   0.12  -0.24
    11   6    -0.05   0.07  -0.00     0.09  -0.06   0.02    -0.07   0.03  -0.02
    12   6     0.00   0.01  -0.05     0.03  -0.01  -0.01    -0.03   0.00   0.02
    13   6     0.26  -0.09   0.20    -0.09   0.09  -0.06     0.09  -0.05   0.06
    14   1    -0.23  -0.13  -0.26     0.14   0.04   0.20    -0.16  -0.06  -0.13
    15   1     0.08  -0.06  -0.27    -0.12   0.03   0.21     0.05  -0.02  -0.10
    16   1     0.02  -0.08   0.01     0.00   0.08  -0.21    -0.01  -0.05   0.14
    17   1     0.03  -0.10   0.10    -0.06   0.08  -0.09     0.02  -0.05   0.07
    18   8     0.05   0.08  -0.15     0.02  -0.03   0.01     0.01   0.04  -0.03
    19   8    -0.13   0.01   0.10     0.01  -0.01   0.02    -0.02   0.01   0.01
    20   1    -0.13  -0.05  -0.31     0.02  -0.02   0.06    -0.04   0.02  -0.10
    21   6     0.15   0.03   0.01     0.01   0.03  -0.10    -0.00  -0.06  -0.09
    22   6    -0.00  -0.05  -0.03     0.02   0.00   0.08    -0.00   0.03   0.07
    23   6     0.02  -0.05   0.02    -0.05  -0.09   0.01     0.05   0.07  -0.03
    24   8    -0.13  -0.11   0.04    -0.04  -0.03   0.00     0.02   0.02  -0.01
    25   6    -0.06   0.04  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   1     0.19   0.19  -0.13     0.02   0.26   0.29     0.04  -0.05   0.42
    27   1     0.10   0.00   0.03    -0.07   0.02   0.16     0.09   0.07   0.22
    28   1     0.06  -0.06   0.08    -0.15  -0.15  -0.36     0.10  -0.07  -0.48
    29   1     0.06   0.01  -0.01     0.03  -0.00  -0.00    -0.01   0.00   0.00
    30   1     0.06   0.01  -0.00     0.02   0.00  -0.00    -0.02   0.00  -0.00
    31   1    -0.15   0.21  -0.04    -0.04   0.06  -0.00     0.02  -0.03   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --    820.2940               825.7872               837.0407
 Red. masses --      1.4563                 1.8502                 2.5557
 Frc consts  --      0.5773                 0.7434                 1.0550
 IR Inten    --     27.7997                 3.1969                 7.3304
 RamAct Fr= 1--      0.7809                 1.3727                 3.6914
  Dep-P Fr= 1--      0.2984                 0.3474                 0.4098
  Dep-U Fr= 1--      0.4597                 0.5156                 0.5814
 Alpha2 Fr= 1--      0.0080                 0.0122                 0.0264
 Beta2  Fr= 1--      0.0598                 0.1180                 0.3577
 AlphaG Fr= 1--     -0.0116                -0.0034                -0.0385
 Gamma2 Fr= 1--      0.1960                 0.5106                 0.0353
 Delta2 Fr= 1--      0.0222                 0.1101                 0.4703
 Raman1 Fr= 1--       3.124                  5.491                 14.766
 ROA1   Fr= 1--      19.526                 52.538                 18.434
 CID1   Fr= 1--       6.251                  9.568                  1.248
 Raman2 Fr= 1--       0.718                  1.416                  4.292
 ROA2   Fr= 1--       4.527                 11.373                 -2.916
 CID2   Fr= 1--       6.306                  8.034                 -0.679
 Raman3 Fr= 1--       1.436                  2.831                  8.585
 ROA3   Fr= 1--      19.526                 52.538                 18.434
 CID3   Fr= 1--      13.600                 18.557                  2.147
 RC180  Fr= 1--      -0.081                  0.031                  0.163
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.09     0.02  -0.00  -0.08     0.06   0.04   0.00
     2   6    -0.01  -0.01  -0.02    -0.01   0.01   0.10    -0.06  -0.04  -0.02
     3   6     0.02   0.01   0.00     0.05   0.01  -0.03     0.13   0.04  -0.01
     4   6     0.01   0.01   0.04     0.02   0.01   0.06     0.03  -0.03  -0.09
     5   6    -0.00  -0.02  -0.07    -0.00  -0.02  -0.06     0.03  -0.02   0.07
     6   6    -0.01  -0.02  -0.03    -0.01  -0.05  -0.09     0.00  -0.03   0.07
     7   6    -0.01  -0.01  -0.09    -0.01   0.03   0.06    -0.03   0.02  -0.02
     8   1     0.02  -0.07  -0.29     0.09   0.06   0.21     0.24   0.01   0.02
     9   1     0.02   0.07   0.28     0.03   0.11   0.48     0.01  -0.11  -0.30
    10   1     0.03   0.07   0.38     0.04   0.08   0.49     0.02  -0.16  -0.40
    11   6     0.00   0.02   0.00     0.00   0.07   0.01    -0.03   0.13  -0.02
    12   6    -0.00   0.01   0.00    -0.00   0.02   0.01    -0.04   0.04   0.08
    13   6    -0.00  -0.02  -0.00     0.00  -0.07   0.00     0.05  -0.12   0.04
    14   1     0.02   0.01  -0.03     0.04   0.04  -0.09    -0.02   0.05  -0.22
    15   1     0.02  -0.01  -0.05     0.05  -0.03  -0.16     0.08  -0.08  -0.27
    16   1     0.00  -0.02   0.02     0.01  -0.07   0.04    -0.02  -0.16   0.14
    17   1    -0.00  -0.02   0.05    -0.01  -0.07   0.15    -0.06  -0.15   0.37
    18   8    -0.01  -0.00   0.01    -0.04  -0.01   0.02    -0.06   0.01   0.02
    19   8     0.01   0.00  -0.02     0.03   0.01  -0.05     0.03   0.01  -0.07
    20   1     0.01   0.00   0.02    -0.00   0.06   0.03    -0.01   0.09  -0.01
    21   6    -0.01  -0.02  -0.09    -0.01   0.01   0.05    -0.04  -0.00  -0.01
    22   6     0.00   0.01   0.06    -0.01  -0.02  -0.08    -0.02   0.03   0.04
    23   6    -0.02  -0.00   0.03    -0.04  -0.01   0.05    -0.12  -0.05  -0.02
    24   8     0.00   0.00  -0.01     0.01   0.01   0.02     0.03   0.03  -0.02
    25   6     0.01  -0.00  -0.00     0.01  -0.01   0.00     0.04  -0.04   0.00
    26   1     0.01   0.13   0.46    -0.06  -0.04  -0.28    -0.11   0.07   0.06
    27   1     0.02   0.14   0.58    -0.05  -0.08  -0.30    -0.05  -0.00   0.06
    28   1    -0.05  -0.05  -0.20    -0.10  -0.08  -0.33    -0.21   0.06   0.27
    29   1     0.01  -0.00  -0.01    -0.00  -0.01   0.01     0.02  -0.03   0.00
    30   1    -0.00  -0.01  -0.00     0.01  -0.01   0.01     0.01  -0.03   0.00
    31   1     0.01  -0.00   0.03     0.02  -0.02  -0.01     0.06  -0.06   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    856.7248               896.5177               922.8416
 Red. masses --      3.2179                 1.6913                 1.4952
 Frc consts  --      1.3916                 0.8009                 0.7503
 IR Inten    --      3.4848                34.0012                 7.9393
 RamAct Fr= 1--     19.5084                 2.4384                 1.4432
  Dep-P Fr= 1--      0.1025                 0.7329                 0.5032
  Dep-U Fr= 1--      0.1859                 0.8459                 0.6695
 Alpha2 Fr= 1--      0.3395                 0.0007                 0.0070
 Beta2  Fr= 1--      0.6044                 0.3438                 0.1610
 AlphaG Fr= 1--      0.3022                 0.0052                 0.0658
 Gamma2 Fr= 1--     -0.9469                -0.3902                 0.0152
 Delta2 Fr= 1--     -0.5010                -0.1959                -0.0463
 Raman1 Fr= 1--      78.033                  9.754                  5.773
 ROA1   Fr= 1--    -106.933                -43.730                 -0.022
 CID1   Fr= 1--      -1.370                 -4.483                 -0.004
 Raman2 Fr= 1--       7.253                  4.125                  1.932
 ROA2   Fr= 1--     -18.718                 -7.798                  0.735
 CID2   Fr= 1--      -2.581                 -1.890                  0.380
 Raman3 Fr= 1--      14.506                  8.250                  3.865
 ROA3   Fr= 1--    -106.933                -43.730                 -0.022
 CID3   Fr= 1--      -7.372                 -5.300                 -0.006
 RC180  Fr= 1--      -0.628                  0.692                  0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.03   0.03    -0.00  -0.01  -0.03     0.01   0.02   0.07
     2   6     0.07   0.01  -0.02     0.01   0.03   0.11    -0.01  -0.00  -0.03
     3   6    -0.13  -0.06   0.02     0.00   0.00   0.00    -0.01  -0.02  -0.16
     4   6     0.01   0.03  -0.03    -0.00   0.00   0.02    -0.01   0.01   0.06
     5   6    -0.08   0.03   0.01    -0.00  -0.01  -0.05     0.01  -0.02   0.00
     6   6    -0.07  -0.03   0.03    -0.00  -0.01  -0.05     0.01   0.01   0.02
     7   6     0.02   0.02  -0.01     0.00   0.00   0.02     0.00  -0.00   0.01
     8   1    -0.27   0.01   0.08     0.00   0.01   0.04     0.04   0.22   0.83
     9   1    -0.11  -0.01  -0.05     0.02   0.09   0.36     0.02  -0.02  -0.01
    10   1    -0.16  -0.03  -0.12     0.01   0.03   0.13    -0.02  -0.02  -0.10
    11   6     0.16   0.14   0.06    -0.00  -0.01   0.01    -0.01  -0.00   0.02
    12   6     0.06   0.05   0.03     0.00  -0.00  -0.01     0.01  -0.00  -0.03
    13   6    -0.04  -0.11  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.01
    14   1     0.17   0.13   0.06     0.00  -0.00   0.00    -0.00   0.01   0.05
    15   1    -0.14  -0.10  -0.07     0.01   0.01  -0.00     0.00   0.01   0.00
    16   1     0.03  -0.06  -0.43     0.00   0.01   0.01     0.01   0.02  -0.01
    17   1    -0.24  -0.10   0.43     0.02   0.01  -0.03     0.03   0.02  -0.07
    18   8    -0.10  -0.05   0.05     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.07   0.00  -0.12    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1     0.01   0.12   0.10     0.00  -0.01   0.00    -0.02   0.03  -0.01
    21   6     0.03   0.00  -0.01    -0.00  -0.01  -0.03     0.00  -0.03  -0.05
    22   6     0.04  -0.02   0.02     0.01   0.02   0.09    -0.01   0.01   0.01
    23   6     0.15   0.04  -0.04    -0.01  -0.04  -0.18    -0.01   0.01   0.01
    24   8    -0.03  -0.05   0.01    -0.00  -0.00  -0.02     0.00   0.01  -0.01
    25   6    -0.06   0.05  -0.01     0.00  -0.00  -0.00     0.01  -0.01   0.00
    26   1     0.12  -0.01   0.03    -0.00  -0.00  -0.02    -0.03  -0.05  -0.21
    27   1     0.01   0.00   0.05     0.00   0.01   0.04     0.04   0.08   0.38
    28   1     0.30   0.01   0.08     0.05   0.21   0.86    -0.02   0.01  -0.00
    29   1    -0.02   0.04  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.02   0.04  -0.01    -0.00   0.00  -0.00     0.01  -0.01   0.00
    31   1    -0.08   0.09  -0.01     0.00   0.00   0.00     0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    936.7644               953.9645               967.4276
 Red. masses --      3.5890                 1.3449                 1.3279
 Frc consts  --      1.8556                 0.7211                 0.7323
 IR Inten    --     13.7091                 1.6100                 1.4722
 RamAct Fr= 1--      6.5860                 1.6434                 1.2780
  Dep-P Fr= 1--      0.3578                 0.6298                 0.7477
  Dep-U Fr= 1--      0.5271                 0.7729                 0.8556
 Alpha2 Fr= 1--      0.0564                 0.0036                 0.0001
 Beta2  Fr= 1--      0.5785                 0.2117                 0.1822
 AlphaG Fr= 1--      0.1261                 0.0023                -0.0098
 Gamma2 Fr= 1--      3.6094                -0.5914                 0.3073
 Delta2 Fr= 1--     -1.6488                 0.5606                -0.2120
 Raman1 Fr= 1--      26.344                  6.574                  5.112
 ROA1   Fr= 1--     293.745                -38.833                 22.714
 CID1   Fr= 1--      11.150                 -5.907                  4.443
 Raman2 Fr= 1--       6.943                  2.540                  2.187
 ROA2   Fr= 1--      99.817                -18.677                  9.071
 CID2   Fr= 1--      14.378                 -7.353                  4.148
 Raman3 Fr= 1--      13.885                  5.080                  4.374
 ROA3   Fr= 1--     293.745                -38.833                 22.714
 CID3   Fr= 1--      21.155                 -7.644                  5.193
 RC180  Fr= 1--       0.054                  0.546                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06   0.02     0.00   0.01   0.04    -0.00  -0.00  -0.02
     2   6     0.04  -0.07   0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.02
     3   6     0.08  -0.13  -0.00    -0.00  -0.01  -0.06     0.00   0.01   0.03
     4   6     0.11  -0.03   0.01     0.00   0.00   0.02    -0.00   0.00   0.00
     5   6    -0.12   0.19  -0.04    -0.00  -0.00  -0.03    -0.01  -0.03  -0.11
     6   6    -0.04   0.02   0.00     0.00   0.01   0.02     0.01   0.03   0.11
     7   6    -0.03   0.04   0.00    -0.01  -0.03  -0.12     0.00   0.01   0.03
     8   1     0.12  -0.09   0.20     0.02   0.07   0.29    -0.01  -0.03  -0.13
     9   1    -0.21   0.13  -0.02     0.00   0.04   0.18     0.04   0.16   0.66
    10   1     0.16  -0.06  -0.02    -0.00  -0.03  -0.14    -0.04  -0.16  -0.65
    11   6    -0.05  -0.02  -0.07    -0.01  -0.00   0.01    -0.00  -0.00   0.01
    12   6    -0.09   0.00   0.05    -0.00  -0.00  -0.01     0.00  -0.00  -0.01
    13   6     0.01   0.02  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.07  -0.05  -0.27     0.00   0.00   0.01     0.00  -0.00  -0.00
    15   1     0.19   0.02  -0.18     0.01   0.01  -0.01     0.01   0.00  -0.00
    16   1    -0.04  -0.10   0.48     0.00   0.00   0.02     0.00   0.00   0.00
    17   1     0.14  -0.06   0.01     0.02   0.00  -0.03     0.01   0.00  -0.01
    18   8     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   8    -0.01   0.00   0.03     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.01  -0.00  -0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
    21   6    -0.11   0.19  -0.06     0.00   0.03   0.09    -0.00  -0.00  -0.01
    22   6     0.10  -0.04   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    23   6     0.11  -0.12   0.02     0.00  -0.01  -0.01     0.00   0.01   0.02
    24   8    -0.01  -0.07   0.02     0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.08   0.08  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1     0.15  -0.05  -0.10     0.05   0.16   0.70    -0.01  -0.04  -0.16
    27   1    -0.17   0.17   0.09    -0.04  -0.12  -0.53     0.01   0.02   0.08
    28   1     0.19  -0.16   0.03     0.01  -0.00   0.02    -0.01  -0.02  -0.10
    29   1    -0.04   0.06  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.04   0.06  -0.02    -0.00   0.01   0.00     0.00  -0.00   0.00
    31   1    -0.10   0.12  -0.02    -0.00   0.00  -0.02     0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    979.8591              1029.0931              1069.4625
 Red. masses --      3.5405                 2.1354                 3.6636
 Frc consts  --      2.0028                 1.3324                 2.4688
 IR Inten    --      1.7837                 4.7051                54.9361
 RamAct Fr= 1--     19.6391                 4.1338                 2.0718
  Dep-P Fr= 1--      0.1450                 0.4311                 0.1325
  Dep-U Fr= 1--      0.2533                 0.6024                 0.2340
 Alpha2 Fr= 1--      0.3075                 0.0273                 0.0335
 Beta2  Fr= 1--      0.8291                 0.4151                 0.0808
 AlphaG Fr= 1--     -0.2097                 0.1188                 0.0120
 Gamma2 Fr= 1--     -1.0855                -0.2014                 0.0089
 Delta2 Fr= 1--     -0.0429                -1.2127                -0.0995
 Raman1 Fr= 1--      78.556                 16.535                  8.287
 ROA1   Fr= 1--    -105.582                -58.138                 -2.335
 CID1   Fr= 1--      -1.344                 -3.516                 -0.282
 Raman2 Fr= 1--       9.949                  4.981                  0.970
 ROA2   Fr= 1--     -25.710                  4.869                  1.009
 CID2   Fr= 1--      -2.584                  0.978                  1.041
 Raman3 Fr= 1--      19.898                  9.961                  1.939
 ROA3   Fr= 1--    -105.582                -58.138                 -2.335
 CID3   Fr= 1--      -5.306                 -5.836                 -1.204
 RC180  Fr= 1--      -0.493                  0.205                 -0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03   0.00     0.05   0.00  -0.01     0.01  -0.01   0.00
     2   6     0.00   0.02  -0.01     0.00  -0.02   0.00     0.07   0.04  -0.01
     3   6     0.04   0.17  -0.03     0.05  -0.10   0.03    -0.03  -0.04   0.01
     4   6    -0.08  -0.00   0.00    -0.02  -0.03  -0.01    -0.00   0.01   0.00
     5   6     0.04  -0.17   0.04    -0.03   0.09  -0.01    -0.02   0.04  -0.01
     6   6     0.01   0.13  -0.03     0.01  -0.01   0.00    -0.01  -0.04   0.01
     7   6    -0.00  -0.12   0.03    -0.01   0.02  -0.00     0.04   0.02  -0.01
     8   1     0.05   0.15  -0.10     0.26  -0.21  -0.03    -0.06  -0.03   0.02
     9   1    -0.06  -0.25   0.05    -0.01   0.11  -0.05     0.06   0.10  -0.02
    10   1    -0.28   0.25  -0.04     0.20  -0.08   0.01    -0.03  -0.03   0.01
    11   6    -0.01   0.03   0.06    -0.12   0.09   0.13     0.01  -0.01  -0.01
    12   6     0.05   0.00  -0.04     0.06  -0.04  -0.12     0.00   0.01   0.01
    13   6     0.01  -0.02   0.01     0.04  -0.05   0.06    -0.00   0.00  -0.01
    14   1    -0.07   0.05   0.18    -0.34   0.14   0.52    -0.00  -0.02  -0.03
    15   1    -0.09  -0.01   0.07    -0.10   0.05   0.21    -0.01  -0.01  -0.01
    16   1     0.03   0.06  -0.28     0.03   0.19  -0.29     0.00  -0.01  -0.02
    17   1    -0.08   0.04  -0.02    -0.02   0.14  -0.34    -0.02  -0.01   0.05
    18   8    -0.01  -0.00   0.00    -0.02   0.00   0.00     0.00   0.00  -0.00
    19   8     0.01  -0.00  -0.02     0.01  -0.00  -0.06    -0.00  -0.00   0.00
    20   1     0.01  -0.01  -0.02     0.01  -0.01  -0.06    -0.01   0.01   0.01
    21   6    -0.06   0.22  -0.05    -0.03   0.01  -0.00    -0.02   0.11  -0.02
    22   6     0.07  -0.01  -0.00    -0.00   0.00   0.00    -0.16  -0.06   0.02
    23   6    -0.02  -0.22   0.05     0.00  -0.00   0.00     0.03  -0.08   0.02
    24   8    -0.00  -0.04   0.01     0.00   0.00  -0.00    -0.15   0.21  -0.04
    25   6    -0.05   0.04  -0.01     0.00   0.00  -0.00     0.18  -0.21   0.04
    26   1     0.33  -0.26   0.02    -0.06   0.04  -0.01     0.24  -0.06  -0.00
    27   1     0.08   0.33  -0.07    -0.06  -0.01   0.01     0.13   0.23  -0.06
    28   1     0.06  -0.25   0.05    -0.01   0.00  -0.00     0.63  -0.34   0.04
    29   1    -0.00   0.03  -0.01    -0.00   0.00   0.00     0.09  -0.15   0.02
    30   1    -0.00   0.03  -0.01    -0.00   0.00  -0.00     0.09  -0.14   0.04
    31   1    -0.07   0.08  -0.02     0.01  -0.01   0.00     0.15  -0.16   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1090.5916              1098.9766              1166.7862
 Red. masses --      2.1334                 1.9742                 1.5265
 Frc consts  --      1.4950                 1.4048                 1.2244
 IR Inten    --      2.8333                20.1617                18.3443
 RamAct Fr= 1--      1.6730                11.1342                 3.6552
  Dep-P Fr= 1--      0.6496                 0.1844                 0.6880
  Dep-U Fr= 1--      0.7876                 0.3114                 0.8152
 Alpha2 Fr= 1--      0.0030                 0.1575                 0.0040
 Beta2  Fr= 1--      0.2196                 0.5779                 0.4966
 AlphaG Fr= 1--     -0.0090                -0.2800                -0.0029
 Gamma2 Fr= 1--      0.2581                -2.3041                -0.6069
 Delta2 Fr= 1--      0.0928                 2.1032                -1.2340
 Raman1 Fr= 1--       6.692                 44.537                 14.621
 ROA1   Fr= 1--      27.745               -153.892                -97.755
 CID1   Fr= 1--       4.146                 -3.455                 -6.686
 Raman2 Fr= 1--       2.635                  6.934                  5.959
 ROA2   Fr= 1--       5.451                -72.124                 -4.694
 CID2   Fr= 1--       2.069                -10.401                 -0.788
 Raman3 Fr= 1--       5.271                 13.869                 11.919
 ROA3   Fr= 1--      27.745               -153.892                -97.755
 CID3   Fr= 1--       5.264                -11.096                 -8.202
 RC180  Fr= 1--       0.575                 -0.377                  0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.02  -0.01   0.01     0.02   0.07  -0.02
     2   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01   0.05  -0.01
     3   6     0.01   0.00  -0.00    -0.02   0.05   0.00    -0.05  -0.04   0.02
     4   6     0.10   0.06  -0.01     0.05  -0.00  -0.06    -0.06  -0.03   0.00
     5   6     0.02  -0.06   0.01     0.01  -0.02   0.02     0.02   0.05  -0.01
     6   6    -0.05  -0.03   0.01    -0.01  -0.00   0.00    -0.03  -0.04   0.01
     7   6     0.01   0.01  -0.00     0.00   0.01  -0.00    -0.05  -0.06   0.02
     8   1    -0.17   0.08  -0.01    -0.22   0.11  -0.08     0.11  -0.11   0.02
     9   1    -0.04  -0.11   0.05    -0.02  -0.06  -0.03     0.39   0.33  -0.11
    10   1    -0.22   0.03   0.00    -0.10   0.03  -0.01    -0.16   0.01   0.01
    11   6     0.04   0.14  -0.15     0.05  -0.00   0.16     0.05   0.01  -0.00
    12   6    -0.05  -0.13   0.06    -0.11  -0.01  -0.12    -0.02  -0.01   0.00
    13   6     0.05  -0.08  -0.01    -0.02   0.02   0.09     0.01  -0.02  -0.02
    14   1    -0.03   0.23   0.17     0.31   0.10   0.11     0.23   0.11   0.01
    15   1    -0.04   0.11   0.55     0.32   0.13  -0.27     0.05   0.03   0.02
    16   1    -0.06   0.24   0.26    -0.05  -0.03   0.52    -0.01   0.01   0.09
    17   1     0.08   0.17  -0.44     0.32  -0.02  -0.35     0.05   0.00  -0.06
    18   8    -0.02  -0.00  -0.00    -0.03  -0.03   0.00    -0.00   0.00  -0.00
    19   8    -0.02   0.02   0.03     0.04  -0.01  -0.07    -0.01   0.00   0.01
    20   1    -0.04   0.05   0.15     0.05  -0.04  -0.13    -0.02   0.03   0.08
    21   6    -0.01   0.00   0.00     0.01  -0.01   0.00     0.05   0.03  -0.01
    22   6    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.02  -0.00   0.00
    23   6     0.01   0.00  -0.00     0.01   0.01  -0.00    -0.04  -0.05   0.01
    24   8     0.00  -0.00  -0.00    -0.01   0.01  -0.00     0.04  -0.02   0.00
    25   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.03   0.02  -0.01
    26   1     0.04   0.00  -0.00     0.03   0.00  -0.00    -0.36   0.06   0.01
    27   1    -0.05  -0.03   0.01    -0.01  -0.02   0.01     0.50   0.36  -0.12
    28   1     0.07  -0.03   0.00     0.03   0.00  -0.00     0.01  -0.07   0.02
    29   1    -0.01   0.00   0.00     0.00  -0.01   0.00     0.02   0.00  -0.00
    30   1    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.00
    31   1     0.00  -0.01   0.00     0.01  -0.00   0.00    -0.01  -0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5185              1175.7493              1181.4183
 Red. masses --      1.2705                 2.0340                 1.7999
 Frc consts  --      1.0291                 1.6566                 1.4802
 IR Inten    --      0.8252                77.6461                 6.0445
 RamAct Fr= 1--      0.8774                34.1035                10.2588
  Dep-P Fr= 1--      0.7439                 0.3660                 0.7264
  Dep-U Fr= 1--      0.8532                 0.5359                 0.8415
 Alpha2 Fr= 1--      0.0001                 0.2840                 0.0041
 Beta2  Fr= 1--      0.1248                 3.0461                 1.4389
 AlphaG Fr= 1--      0.0084                -0.0288                 0.0072
 Gamma2 Fr= 1--      0.0366                 3.5573                 1.6489
 Delta2 Fr= 1--      0.0081                 5.4319                -1.6194
 Raman1 Fr= 1--       3.510                136.414                 41.035
 ROA1   Fr= 1--       3.777                515.327                106.478
 CID1   Fr= 1--       1.076                  3.778                  2.595
 Raman2 Fr= 1--       1.497                 36.553                 17.266
 ROA2   Fr= 1--       0.814                 41.921                 52.529
 CID2   Fr= 1--       0.544                  1.147                  3.042
 Raman3 Fr= 1--       2.994                 73.106                 34.533
 ROA3   Fr= 1--       3.777                515.327                106.478
 CID3   Fr= 1--       1.261                  7.049                  3.083
 RC180  Fr= 1--       0.706                  0.072                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.02  -0.02   0.00    -0.02   0.04  -0.01
     2   6    -0.00  -0.00  -0.00    -0.03   0.06  -0.01     0.02  -0.04   0.01
     3   6     0.00   0.00   0.00     0.02  -0.05   0.00    -0.02   0.03  -0.01
     4   6     0.00   0.00  -0.00     0.09   0.06   0.00    -0.03  -0.03   0.03
     5   6    -0.00  -0.00   0.00     0.06  -0.02  -0.00    -0.05   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.05  -0.06   0.02     0.05   0.03  -0.01
     7   6     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.03  -0.03   0.01
     8   1    -0.00   0.00  -0.00    -0.16   0.03   0.03     0.09  -0.00   0.02
     9   1    -0.01  -0.00   0.00     0.33   0.19  -0.05    -0.35  -0.21   0.08
    10   1     0.00  -0.00  -0.00    -0.38   0.07   0.01     0.39  -0.10   0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.03  -0.05     0.02   0.02  -0.09
    12   6     0.00   0.00   0.00     0.03  -0.01   0.01     0.01  -0.05   0.04
    13   6    -0.00   0.00   0.00    -0.05   0.10   0.15    -0.03   0.06   0.14
    14   1    -0.00  -0.00  -0.00    -0.34  -0.23  -0.18     0.10   0.02  -0.18
    15   1    -0.00  -0.00   0.00    -0.09  -0.04   0.06    -0.06   0.00   0.20
    16   1     0.00   0.00  -0.00     0.01   0.01  -0.12    -0.01   0.07  -0.03
    17   1    -0.00   0.00   0.00    -0.08   0.01   0.04    -0.03   0.05  -0.08
    18   8    -0.00  -0.00   0.00    -0.03  -0.03   0.00    -0.04  -0.03   0.00
    19   8     0.00   0.00  -0.00     0.06   0.01  -0.06     0.05   0.01  -0.05
    20   1     0.00  -0.00  -0.00     0.12  -0.16  -0.46     0.11  -0.14  -0.42
    21   6    -0.00  -0.00   0.00    -0.02   0.02  -0.00     0.04  -0.01   0.00
    22   6     0.00   0.00   0.00    -0.04  -0.02   0.01     0.02   0.03  -0.01
    23   6     0.00  -0.00  -0.00    -0.03   0.00   0.00     0.03  -0.02   0.00
    24   8     0.00   0.01   0.06     0.04  -0.04   0.01    -0.01   0.03  -0.01
    25   6    -0.01  -0.03  -0.13     0.00   0.06  -0.01    -0.03  -0.05   0.01
    26   1     0.00  -0.00  -0.00     0.05  -0.00  -0.00    -0.26   0.06   0.00
    27   1    -0.00   0.00   0.01    -0.03   0.02  -0.00     0.27   0.15  -0.06
    28   1     0.00   0.00   0.01     0.15  -0.08   0.01    -0.05   0.01   0.00
    29   1     0.39  -0.48   0.27    -0.11   0.04   0.03     0.15  -0.04  -0.03
    30   1    -0.36   0.56   0.07    -0.11   0.03  -0.03     0.15  -0.03   0.03
    31   1     0.02   0.07   0.27     0.11  -0.16   0.03    -0.14   0.19  -0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.3328              1200.5127              1205.1791
 Red. masses --      1.6680                 1.3746                 1.6281
 Frc consts  --      1.3901                 1.1673                 1.3932
 IR Inten    --     61.4327                23.5445                 0.5224
 RamAct Fr= 1--      7.6416                53.8720                 1.4385
  Dep-P Fr= 1--      0.4073                 0.2136                 0.7209
  Dep-U Fr= 1--      0.5788                 0.3520                 0.8378
 Alpha2 Fr= 1--      0.0551                 0.7055                 0.0007
 Beta2  Fr= 1--      0.7372                 3.1609                 0.2009
 AlphaG Fr= 1--     -0.0137                -0.0526                -0.0001
 Gamma2 Fr= 1--      0.1722                -7.6944                 0.8391
 Delta2 Fr= 1--      0.0003                -0.1213                -0.4102
 Raman1 Fr= 1--      30.566                215.488                  5.754
 ROA1   Fr= 1--      16.538               -742.541                 67.427
 CID1   Fr= 1--       0.541                 -3.446                 11.719
 Raman2 Fr= 1--       8.846                 37.930                  2.410
 ROA2   Fr= 1--       4.130               -183.695                 23.420
 CID2   Fr= 1--       0.467                 -4.843                  9.716
 Raman3 Fr= 1--      17.692                 75.861                  4.821
 ROA3   Fr= 1--      16.538               -742.541                 67.427
 CID3   Fr= 1--       0.935                 -9.788                 13.987
 RC180  Fr= 1--       0.158                 -0.296                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.04  -0.01    -0.02   0.01  -0.00    -0.06   0.03  -0.00
     2   6    -0.12   0.05  -0.01     0.01   0.01  -0.00    -0.08   0.06  -0.01
     3   6     0.02   0.02  -0.01    -0.00   0.01  -0.00     0.03  -0.03   0.01
     4   6    -0.03   0.01  -0.01    -0.11  -0.04   0.02     0.03   0.05  -0.02
     5   6    -0.02  -0.03   0.01     0.00   0.04  -0.01     0.01  -0.02   0.00
     6   6     0.05  -0.04   0.01     0.01   0.02  -0.01    -0.00  -0.05   0.01
     7   6     0.04  -0.02   0.00     0.03  -0.02   0.00     0.01  -0.04   0.01
     8   1     0.20  -0.05   0.00     0.36  -0.13   0.03     0.14  -0.07   0.01
     9   1    -0.10  -0.09   0.03     0.30   0.27  -0.08     0.18   0.10  -0.04
    10   1     0.52  -0.23   0.02    -0.08   0.06  -0.01    -0.07  -0.03   0.01
    11   6     0.03   0.00   0.00     0.05   0.01  -0.05     0.00  -0.01   0.02
    12   6    -0.01  -0.00  -0.00    -0.01  -0.03   0.02    -0.01   0.01  -0.01
    13   6     0.00  -0.01  -0.01     0.00   0.01   0.05    -0.01   0.01  -0.02
    14   1     0.08   0.03  -0.00     0.35   0.14  -0.10    -0.15  -0.09   0.02
    15   1     0.03   0.01  -0.01     0.01   0.02   0.11     0.02   0.00  -0.06
    16   1    -0.01  -0.00   0.05    -0.01   0.04   0.02    -0.00  -0.02   0.03
    17   1     0.03  -0.00  -0.03     0.02   0.03  -0.08     0.02  -0.02   0.02
    18   8    -0.00  -0.00   0.00    -0.02  -0.01  -0.00     0.01   0.00   0.00
    19   8    -0.00   0.00   0.00     0.02   0.01  -0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.02     0.03  -0.04  -0.13    -0.01   0.01   0.06
    21   6    -0.02  -0.01   0.00    -0.03  -0.01   0.01    -0.02  -0.03   0.01
    22   6    -0.09   0.01   0.00     0.02  -0.00  -0.00     0.04   0.06  -0.02
    23   6     0.01   0.02  -0.00    -0.01   0.02  -0.00     0.02  -0.02   0.00
    24   8     0.07  -0.05   0.01    -0.03   0.00   0.00     0.04   0.04  -0.01
    25   6    -0.00   0.08  -0.02     0.02  -0.01  -0.00    -0.10  -0.08   0.02
    26   1     0.24  -0.10   0.01     0.46  -0.19   0.02     0.13  -0.09   0.01
    27   1     0.09   0.07  -0.02    -0.32  -0.22   0.08    -0.12  -0.12   0.04
    28   1     0.54  -0.21   0.02    -0.16   0.08  -0.01     0.22  -0.11   0.01
    29   1    -0.13   0.05   0.03    -0.04   0.00   0.01     0.37  -0.08  -0.08
    30   1    -0.13   0.03  -0.04    -0.04   0.00  -0.00     0.38  -0.04   0.06
    31   1     0.15  -0.24   0.05     0.02  -0.02   0.00    -0.37   0.52  -0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1255.1872              1297.6577              1298.0756
 Red. masses --      1.6515                 1.4057                 1.7895
 Frc consts  --      1.5331                 1.3946                 1.7766
 IR Inten    --     79.4132               158.5150                15.9219
 RamAct Fr= 1--     44.5848                18.7121                 2.2540
  Dep-P Fr= 1--      0.2487                 0.6511                 0.1984
  Dep-U Fr= 1--      0.3984                 0.7887                 0.3310
 Alpha2 Fr= 1--      0.5303                 0.0332                 0.0307
 Beta2  Fr= 1--      2.9603                 2.4596                 0.1244
 AlphaG Fr= 1--      0.1130                -0.0280                 0.0051
 Gamma2 Fr= 1--      2.6980                -3.3234                 4.3309
 Delta2 Fr= 1--      0.6201                -2.7083                -0.1553
 Raman1 Fr= 1--     178.339                 74.848                  9.016
 ROA1   Fr= 1--     278.848               -405.715                410.795
 CID1   Fr= 1--       1.564                 -5.420                 45.563
 Raman2 Fr= 1--      35.524                 29.515                  1.492
 ROA2   Fr= 1--      59.790                -58.095                105.183
 CID2   Fr= 1--       1.683                 -1.968                 70.483
 Raman3 Fr= 1--      71.048                 59.030                  2.985
 ROA3   Fr= 1--     278.848               -405.715                410.795
 CID3   Fr= 1--       3.925                 -6.873                137.636
 RC180  Fr= 1--      -0.203                  0.577                 -0.338
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.09  -0.01     0.03  -0.03   0.01    -0.10  -0.11   0.03
     2   6     0.03   0.02  -0.01    -0.02  -0.01   0.00    -0.07  -0.14   0.04
     3   6     0.00  -0.04   0.01     0.00   0.01  -0.00     0.05   0.05  -0.02
     4   6     0.04   0.09  -0.02    -0.04  -0.01   0.00    -0.01   0.02  -0.00
     5   6    -0.02  -0.01   0.00     0.00  -0.01   0.00     0.03   0.00  -0.00
     6   6     0.02  -0.04   0.01    -0.00   0.02  -0.00    -0.01   0.06  -0.01
     7   6    -0.01  -0.05   0.01     0.00   0.00  -0.00    -0.02   0.04  -0.01
     8   1     0.44  -0.21   0.03    -0.01   0.01   0.00     0.54  -0.14   0.01
     9   1    -0.18  -0.13   0.04     0.05   0.03  -0.02     0.06   0.03  -0.01
    10   1    -0.16   0.03   0.00     0.05  -0.01   0.00    -0.39   0.21  -0.03
    11   6     0.06   0.01   0.01     0.01   0.04   0.05    -0.00  -0.01  -0.01
    12   6    -0.03   0.01  -0.01     0.02  -0.05   0.00    -0.00   0.01   0.00
    13   6    -0.02   0.03  -0.00    -0.03   0.06   0.08     0.00  -0.01  -0.00
    14   1    -0.42  -0.24  -0.01    -0.03  -0.24  -0.57     0.03   0.04   0.08
    15   1     0.06   0.03  -0.05    -0.01   0.01   0.14     0.00  -0.01  -0.03
    16   1    -0.02  -0.01   0.09     0.00   0.11  -0.05    -0.00  -0.01  -0.00
    17   1     0.06  -0.02  -0.01    -0.01   0.05  -0.14     0.00   0.00   0.01
    18   8     0.01  -0.01  -0.00     0.04   0.01  -0.03    -0.00  -0.00   0.00
    19   8    -0.00  -0.01  -0.01    -0.01  -0.05  -0.07     0.00   0.01   0.01
    20   1    -0.02   0.04   0.14    -0.13   0.25   0.63     0.02  -0.03  -0.08
    21   6     0.02  -0.02   0.00     0.00   0.01  -0.00     0.05  -0.01  -0.00
    22   6     0.04   0.01  -0.01     0.02   0.01  -0.00     0.02   0.04  -0.01
    23   6     0.03  -0.03   0.01    -0.00   0.01  -0.00     0.05   0.04  -0.01
    24   8    -0.07  -0.00   0.01    -0.01  -0.00   0.00    -0.03  -0.00   0.00
    25   6     0.05   0.00  -0.00     0.01  -0.00  -0.00     0.02  -0.00  -0.00
    26   1     0.18  -0.14   0.02    -0.14   0.06  -0.00    -0.38   0.19  -0.02
    27   1     0.22   0.12  -0.04    -0.07  -0.05   0.02     0.07   0.01  -0.01
    28   1    -0.37   0.14  -0.01     0.12  -0.05   0.00     0.43  -0.12  -0.00
    29   1    -0.14   0.03   0.02    -0.02   0.01   0.00    -0.05   0.01   0.01
    30   1    -0.14   0.02  -0.02    -0.02   0.01  -0.00    -0.05   0.00  -0.00
    31   1     0.12  -0.15   0.03     0.00   0.01  -0.00     0.03  -0.04   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1306.9432              1325.6110              1336.5931
 Red. masses --      2.7635                 2.2360                 1.7766
 Frc consts  --      2.7811                 2.3150                 1.8700
 IR Inten    --    267.8263                 8.6375               143.1484
 RamAct Fr= 1--     19.3390                 7.8705                 5.2095
  Dep-P Fr= 1--      0.1792                 0.2495                 0.6708
  Dep-U Fr= 1--      0.3039                 0.3994                 0.8029
 Alpha2 Fr= 1--      0.2774                 0.0934                 0.0073
 Beta2  Fr= 1--      0.9795                 0.5239                 0.6971
 AlphaG Fr= 1--     -0.0798                 0.1057                -0.0844
 Gamma2 Fr= 1--     -1.5020                 0.0954                 3.1939
 Delta2 Fr= 1--     -0.7003                 0.7735                 2.2338
 Raman1 Fr= 1--      77.356                 31.482                 20.838
 ROA1   Fr= 1--    -166.600                 33.908                378.099
 CID1   Fr= 1--      -2.154                  1.077                 18.145
 Raman2 Fr= 1--      11.754                  6.287                  8.366
 ROA2   Fr= 1--     -30.446                 -3.900                 58.784
 CID2   Fr= 1--      -2.590                 -0.620                  7.027
 Raman3 Fr= 1--      23.507                 12.575                 16.732
 ROA3   Fr= 1--    -166.600                 33.908                378.099
 CID3   Fr= 1--      -7.087                  2.697                 22.598
 RC180  Fr= 1--      -0.392                 -0.201                  0.606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.01     0.14  -0.05   0.00     0.00  -0.00  -0.00
     2   6    -0.11   0.10  -0.02     0.02  -0.01   0.00     0.00  -0.00   0.00
     3   6     0.02  -0.02   0.00    -0.05  -0.03   0.01    -0.01   0.01  -0.01
     4   6     0.01   0.01  -0.00    -0.15   0.02   0.01    -0.00  -0.01   0.02
     5   6    -0.01  -0.04   0.01    -0.00  -0.02   0.00     0.00  -0.00  -0.00
     6   6    -0.01  -0.03   0.01     0.01   0.03  -0.01    -0.00   0.00  -0.00
     7   6    -0.00  -0.09   0.02     0.03   0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.29   0.10  -0.01     0.07  -0.09   0.03    -0.02   0.02   0.02
     9   1     0.26   0.16  -0.05    -0.01  -0.02   0.01     0.02   0.02   0.02
    10   1     0.34  -0.17   0.02     0.12  -0.01  -0.00     0.04  -0.01   0.00
    11   6    -0.02  -0.01  -0.01     0.21   0.05  -0.03     0.01  -0.08  -0.14
    12   6     0.00   0.01  -0.00    -0.07   0.01   0.00    -0.03   0.06   0.03
    13   6     0.01  -0.01  -0.01    -0.02   0.01  -0.04     0.01   0.04   0.15
    14   1     0.08   0.08   0.10    -0.62  -0.28   0.18    -0.07   0.23   0.71
    15   1    -0.02  -0.01  -0.02     0.19   0.09  -0.09     0.01  -0.03  -0.20
    16   1     0.00  -0.03  -0.00    -0.05   0.00   0.12    -0.02  -0.16   0.00
    17   1    -0.01  -0.01   0.04     0.17  -0.07  -0.02     0.06  -0.04   0.11
    18   8    -0.01  -0.00   0.00    -0.02  -0.02   0.01     0.02   0.01  -0.03
    19   8     0.00   0.01   0.01     0.01   0.01   0.02    -0.01  -0.04  -0.08
    20   1     0.03  -0.05  -0.11     0.04  -0.06  -0.16    -0.09   0.18   0.49
    21   6     0.04   0.02  -0.01    -0.02   0.04  -0.01     0.00   0.00  -0.00
    22   6     0.23   0.11  -0.04    -0.02   0.01  -0.00    -0.00  -0.00   0.00
    23   6     0.03  -0.04   0.01    -0.05  -0.00   0.00    -0.01   0.00  -0.00
    24   8    -0.17  -0.02   0.02     0.02  -0.01   0.00     0.00  -0.00  -0.00
    25   6     0.10  -0.02  -0.00    -0.01   0.01  -0.00    -0.00   0.00   0.00
    26   1    -0.43   0.07   0.01    -0.27   0.14  -0.02     0.02  -0.01   0.00
    27   1    -0.23  -0.18   0.06    -0.28  -0.15   0.05    -0.00  -0.00   0.00
    28   1     0.13  -0.07   0.01     0.12  -0.08   0.01     0.02  -0.01   0.00
    29   1    -0.28   0.06   0.03     0.01  -0.00   0.00     0.00   0.00  -0.00
    30   1    -0.29   0.05  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    31   1     0.09  -0.04   0.00    -0.02   0.03  -0.01    -0.00   0.01  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1386.4146              1403.8475              1410.3404
 Red. masses --      2.4101                 2.8030                 3.8580
 Frc consts  --      2.7294                 3.2548                 4.5213
 IR Inten    --     15.8258                 8.0542                 2.0159
 RamAct Fr= 1--     50.5740                39.0673               523.8198
  Dep-P Fr= 1--      0.1879                 0.1714                 0.2011
  Dep-U Fr= 1--      0.3164                 0.2927                 0.3348
 Alpha2 Fr= 1--      0.7091                 0.5717                 7.0934
 Beta2  Fr= 1--      2.6666                 1.9056                29.2311
 AlphaG Fr= 1--     -0.0738                -0.0504                -0.2351
 Gamma2 Fr= 1--     -0.6073                -0.5698                 1.2179
 Delta2 Fr= 1--     -0.8511                 1.3056                 1.2902
 Raman1 Fr= 1--     202.296                156.269               2095.279
 ROA1   Fr= 1--     -85.539                -12.924                158.209
 CID1   Fr= 1--      -0.423                 -0.083                  0.076
 Raman2 Fr= 1--      31.999                 22.867                350.774
 ROA2   Fr= 1--      -7.767                -24.121                 18.908
 CID2   Fr= 1--      -0.243                 -1.055                  0.054
 Raman3 Fr= 1--      63.998                 45.734                701.548
 ROA3   Fr= 1--     -85.539                -12.924                158.209
 CID3   Fr= 1--      -1.337                 -0.283                  0.226
 RC180  Fr= 1--      -0.367                 -0.415                 -0.330
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.10  -0.03    -0.07  -0.08   0.02    -0.05  -0.23   0.06
     2   6     0.05  -0.04   0.01    -0.05   0.02  -0.00     0.11   0.25  -0.07
     3   6    -0.06  -0.07   0.02     0.16  -0.06   0.00     0.05  -0.04   0.01
     4   6    -0.02   0.10  -0.02    -0.08   0.07  -0.01    -0.04   0.17  -0.04
     5   6    -0.02   0.04  -0.01    -0.15  -0.09   0.03    -0.06  -0.03   0.01
     6   6     0.10  -0.04   0.00     0.11   0.05  -0.02     0.10  -0.09   0.02
     7   6     0.12  -0.06   0.01     0.11   0.06  -0.02    -0.07   0.03  -0.00
     8   1    -0.02  -0.09   0.02    -0.36   0.14  -0.01     0.36  -0.17   0.03
     9   1    -0.36  -0.21   0.07     0.34   0.29  -0.09    -0.23  -0.15   0.05
    10   1    -0.47   0.19  -0.02     0.02   0.10  -0.03     0.03  -0.06   0.01
    11   6    -0.04  -0.04   0.00     0.03   0.01  -0.01    -0.03  -0.04   0.01
    12   6     0.01   0.00   0.00    -0.01   0.00   0.02    -0.01  -0.00   0.06
    13   6     0.01  -0.00   0.02    -0.00   0.00   0.00     0.01  -0.00   0.01
    14   1     0.38   0.16  -0.04     0.02   0.00   0.00     0.38   0.15  -0.07
    15   1    -0.05  -0.03   0.01     0.04   0.00  -0.04     0.06  -0.09  -0.19
    16   1     0.01  -0.03  -0.02    -0.01  -0.02  -0.07    -0.03  -0.03  -0.27
    17   1    -0.02   0.01  -0.00     0.08   0.01  -0.05     0.11   0.12  -0.21
    18   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.01   0.01   0.03     0.01  -0.00   0.02    -0.00   0.00   0.00
    21   6    -0.06  -0.02   0.01    -0.12  -0.05   0.02     0.10   0.08  -0.03
    22   6    -0.08   0.18  -0.04    -0.06   0.02  -0.00     0.02  -0.10   0.02
    23   6    -0.02  -0.10   0.02     0.15  -0.06   0.00    -0.14   0.02   0.00
    24   8     0.02  -0.03   0.01     0.00   0.02  -0.00     0.02  -0.00  -0.00
    25   6     0.01   0.03  -0.01    -0.02   0.01  -0.00    -0.01  -0.01   0.00
    26   1    -0.26   0.10  -0.01    -0.17   0.19  -0.03    -0.26   0.10  -0.01
    27   1    -0.30  -0.19   0.07     0.25   0.23  -0.07    -0.16  -0.11   0.04
    28   1     0.09  -0.16   0.03    -0.42   0.18  -0.02    -0.10   0.01   0.01
    29   1    -0.01  -0.02   0.04     0.10  -0.02   0.00    -0.02   0.01  -0.01
    30   1    -0.01  -0.03  -0.03     0.10  -0.03  -0.01    -0.02   0.01   0.01
    31   1     0.06  -0.08   0.02     0.07  -0.15   0.03    -0.05   0.09  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1415.3104              1456.4067              1480.1876
 Red. masses --      1.2770                 3.5667                 1.2097
 Frc consts  --      1.5071                 4.4574                 1.5616
 IR Inten    --     11.2387                 1.5386                 8.5230
 RamAct Fr= 1--     31.0719               171.1709                 6.3874
  Dep-P Fr= 1--      0.1739                 0.2609                 0.4911
  Dep-U Fr= 1--      0.2962                 0.4139                 0.6587
 Alpha2 Fr= 1--      0.4519                 1.9672                 0.0329
 Beta2  Fr= 1--      1.5340                11.8066                 0.7013
 AlphaG Fr= 1--     -0.1001                -0.4056                -0.0070
 Gamma2 Fr= 1--     -0.7832                -1.8117                -0.6926
 Delta2 Fr= 1--      0.4855                 0.8180                -0.0350
 Raman1 Fr= 1--     124.288                684.684                 25.550
 ROA1   Fr= 1--     -59.652               -147.748                -67.604
 CID1   Fr= 1--      -0.480                 -0.216                 -2.646
 Raman2 Fr= 1--      18.408                141.679                  8.415
 ROA2   Fr= 1--     -22.681                -50.025                -16.342
 CID2   Fr= 1--      -1.232                 -0.353                 -1.942
 Raman3 Fr= 1--      36.816                283.358                 16.831
 ROA3   Fr= 1--     -59.652               -147.748                -67.604
 CID3   Fr= 1--      -1.620                 -0.521                 -4.017
 RC180  Fr= 1--      -0.408                 -0.172                  0.317
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.01    -0.16   0.01   0.01     0.02  -0.00  -0.00
     2   6     0.02   0.03  -0.01     0.18  -0.00  -0.01    -0.01  -0.01   0.00
     3   6     0.01  -0.01   0.00     0.13   0.03  -0.02     0.01  -0.02   0.00
     4   6    -0.02   0.02  -0.00     0.02  -0.17   0.04    -0.03   0.01  -0.00
     5   6    -0.02  -0.01   0.00    -0.14   0.05  -0.00    -0.00   0.01  -0.00
     6   6     0.02  -0.00  -0.00     0.13  -0.00  -0.01     0.03  -0.01  -0.00
     7   6    -0.00   0.01  -0.00    -0.11   0.00   0.01     0.01   0.03  -0.01
     8   1     0.06  -0.03  -0.00    -0.41   0.26  -0.04    -0.06   0.01   0.00
     9   1     0.01   0.01  -0.01     0.08   0.23  -0.06    -0.06  -0.03   0.01
    10   1     0.02  -0.00  -0.00    -0.20   0.15  -0.02    -0.08   0.04  -0.00
    11   6     0.01  -0.01  -0.01     0.03   0.05  -0.01     0.00  -0.00  -0.00
    12   6     0.04   0.01  -0.13    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    13   6    -0.01   0.00   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1     0.03   0.02   0.03    -0.33  -0.12   0.04     0.03   0.01  -0.01
    15   1    -0.24   0.13   0.44     0.08   0.04   0.00     0.02   0.03   0.04
    16   1     0.08   0.00   0.59    -0.02   0.05  -0.04    -0.00  -0.01  -0.02
    17   1    -0.29  -0.23   0.45     0.04  -0.02   0.00     0.04  -0.03   0.02
    18   8     0.01   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.01   0.01   0.03     0.01  -0.01  -0.01     0.00   0.00  -0.00
    21   6     0.01   0.01  -0.00     0.13  -0.05   0.00    -0.05  -0.03   0.01
    22   6    -0.00  -0.01   0.00    -0.04   0.16  -0.04    -0.01  -0.01   0.00
    23   6    -0.02  -0.00   0.00    -0.14  -0.03   0.02    -0.01   0.01  -0.00
    24   8     0.01  -0.00  -0.00     0.02  -0.04   0.01     0.03  -0.01   0.00
    25   6    -0.00   0.00  -0.00     0.01   0.02  -0.00     0.07  -0.07   0.01
    26   1    -0.06   0.03  -0.00     0.18  -0.13   0.02     0.10  -0.00  -0.01
    27   1    -0.03  -0.02   0.01    -0.06  -0.20   0.05     0.16   0.12  -0.04
    28   1    -0.03   0.00   0.00     0.31  -0.24   0.04     0.04  -0.01   0.00
    29   1     0.01  -0.00   0.00    -0.06  -0.02   0.05    -0.43   0.25  -0.21
    30   1     0.01  -0.00  -0.00    -0.07  -0.04  -0.03    -0.41   0.33   0.12
    31   1    -0.00   0.00  -0.00     0.01   0.03  -0.01    -0.21   0.51  -0.11
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.1896              1496.3523              1496.4379
 Red. masses --      1.0470                 1.0466                 1.0582
 Frc consts  --      1.3736                 1.3807                 1.3962
 IR Inten    --      8.9871                 8.8947                 5.7811
 RamAct Fr= 1--      5.7420                 9.8849                 3.8315
  Dep-P Fr= 1--      0.7120                 0.7495                 0.7361
  Dep-U Fr= 1--      0.8318                 0.8568                 0.8480
 Alpha2 Fr= 1--      0.0038                 0.0001                 0.0009
 Beta2  Fr= 1--      0.7960                 1.4116                 0.5415
 AlphaG Fr= 1--     -0.0079                -0.0036                 0.0269
 Gamma2 Fr= 1--      0.5807                -0.9485                 1.0861
 Delta2 Fr= 1--     -0.6068                 0.3137                 1.2623
 Raman1 Fr= 1--      22.968                 39.540                 15.326
 ROA1   Fr= 1--      36.330                -81.021                144.656
 CID1   Fr= 1--       1.582                 -2.049                  9.439
 Raman2 Fr= 1--       9.552                 16.939                  6.498
 ROA2   Fr= 1--      18.791                -25.275                 15.968
 CID2   Fr= 1--       1.967                 -1.492                  2.457
 Raman3 Fr= 1--      19.105                 33.878                 12.997
 ROA3   Fr= 1--      36.330                -81.021                144.656
 CID3   Fr= 1--       1.902                 -2.392                 11.130
 RC180  Fr= 1--       0.664                  0.714                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.01   0.01  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
     7   6    -0.01  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02   0.01   0.01
     9   1    -0.02  -0.02   0.01    -0.00  -0.00   0.00    -0.04  -0.03   0.01
    10   1    -0.02   0.00   0.00    -0.00   0.00   0.00    -0.03   0.00   0.00
    11   6    -0.02   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.04   0.03  -0.02    -0.00  -0.00  -0.00    -0.03  -0.04  -0.01
    13   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    14   1     0.03   0.01  -0.06     0.00   0.00   0.00     0.04   0.03   0.04
    15   1     0.01   0.24   0.43     0.05   0.02   0.00     0.59   0.29   0.04
    16   1    -0.02  -0.41  -0.30    -0.01   0.05  -0.02    -0.08   0.57  -0.22
    17   1     0.60  -0.32   0.12    -0.01  -0.02   0.03    -0.08  -0.22   0.33
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.01  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.00
    25   6    -0.01   0.00  -0.00    -0.00  -0.01  -0.06    -0.00   0.00   0.00
    26   1     0.01  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.01  -0.02     0.01   0.01  -0.00
    28   1     0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    29   1     0.03  -0.02   0.01    -0.47  -0.03   0.11     0.06  -0.00  -0.01
    30   1     0.03  -0.02  -0.01     0.48   0.05   0.03    -0.02  -0.01  -0.00
    31   1     0.02  -0.04   0.01     0.05   0.17   0.70     0.01  -0.04  -0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.5567              1525.5232              1546.8706
 Red. masses --      1.0584                 2.3935                 3.5087
 Frc consts  --      1.4154                 3.2819                 4.9465
 IR Inten    --     49.8362                34.1874                75.4727
 RamAct Fr= 1--     15.6429               129.3479                 7.8946
  Dep-P Fr= 1--      0.4663                 0.2591                 0.2171
  Dep-U Fr= 1--      0.6360                 0.4115                 0.3568
 Alpha2 Fr= 1--      0.0897                 1.4943                 0.1024
 Beta2  Fr= 1--      1.6582                 8.8721                 0.4694
 AlphaG Fr= 1--     -0.0138                -0.2108                 0.0726
 Gamma2 Fr= 1--     -0.0223                -1.1861                -0.1035
 Delta2 Fr= 1--      0.0106                 0.3627                -0.2368
 Raman1 Fr= 1--      62.571                517.391                 31.578
 ROA1   Fr= 1--      -1.799               -102.260                -17.510
 CID1   Fr= 1--      -0.029                 -0.198                 -0.554
 Raman2 Fr= 1--      19.898                106.465                  5.633
 ROA2   Fr= 1--      -0.619                -31.369                 -0.589
 CID2   Fr= 1--      -0.031                 -0.295                 -0.105
 Raman3 Fr= 1--      39.796                212.929                 11.267
 ROA3   Fr= 1--      -1.799               -102.260                -17.510
 CID3   Fr= 1--      -0.045                 -0.480                 -1.554
 RC180  Fr= 1--       0.272                 -0.177                 -0.286
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.08  -0.02  -0.00     0.14  -0.05   0.00
     2   6     0.00   0.00  -0.00    -0.12   0.03  -0.00     0.13  -0.07   0.01
     3   6     0.00  -0.00   0.00     0.07  -0.04   0.01    -0.05  -0.06   0.02
     4   6    -0.01  -0.01   0.00    -0.13  -0.02   0.01     0.02   0.17  -0.04
     5   6     0.00   0.01  -0.00     0.06   0.10  -0.03    -0.05  -0.13   0.03
     6   6     0.01  -0.01   0.00     0.11  -0.08   0.01    -0.09   0.10  -0.02
     7   6    -0.01  -0.00   0.00    -0.08   0.06  -0.01    -0.13   0.12  -0.02
     8   1    -0.02   0.01  -0.00    -0.26   0.08  -0.00     0.13  -0.14   0.03
     9   1    -0.03  -0.01   0.00    -0.37  -0.21   0.07     0.26   0.09  -0.04
    10   1    -0.03   0.01  -0.00    -0.40   0.11  -0.00     0.34  -0.07  -0.00
    11   6     0.00   0.00  -0.00     0.04   0.01  -0.01    -0.02  -0.03   0.01
    12   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.01  -0.00   0.00     0.01  -0.00   0.00     0.17   0.06  -0.02
    15   1    -0.02  -0.01  -0.01    -0.09  -0.06  -0.03     0.03   0.01   0.00
    16   1     0.00  -0.01   0.01     0.02  -0.03   0.09    -0.00   0.02  -0.02
    17   1    -0.01   0.01  -0.01    -0.06   0.05  -0.04    -0.00  -0.02   0.02
    18   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.00   0.01  -0.00
    21   6     0.00  -0.00   0.00    -0.05  -0.06   0.02    -0.05  -0.15   0.04
    22   6     0.02   0.01  -0.00     0.14  -0.02  -0.00     0.08   0.16  -0.04
    23   6    -0.01   0.00   0.00    -0.03   0.05  -0.01    -0.10  -0.03   0.01
    24   8    -0.02  -0.01   0.00    -0.05   0.01   0.00    -0.03  -0.02   0.01
    25   6    -0.04  -0.04   0.01    -0.02   0.02  -0.00    -0.01   0.02  -0.00
    26   1     0.01  -0.01   0.00     0.30  -0.09   0.00     0.45  -0.11  -0.00
    27   1    -0.01  -0.01   0.00     0.32   0.20  -0.07     0.38   0.15  -0.06
    28   1     0.04  -0.02   0.00     0.17  -0.02  -0.01     0.24  -0.18   0.03
    29   1     0.20   0.37  -0.48     0.12  -0.15   0.15     0.06  -0.05   0.05
    30   1     0.26   0.55   0.23     0.11  -0.21  -0.08     0.06  -0.07  -0.03
    31   1     0.14  -0.36   0.08     0.05  -0.13   0.03     0.06  -0.12   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1607.0611              1651.6738              1675.6847
 Red. masses --      6.7904                 5.6376                 6.2950
 Frc consts  --     10.3326                 9.0614                10.4143
 IR Inten    --      4.9758                84.6562                86.1766
 RamAct Fr= 1--     84.9169                10.1352               309.9677
  Dep-P Fr= 1--      0.5977                 0.6941                 0.3675
  Dep-U Fr= 1--      0.7482                 0.8195                 0.5374
 Alpha2 Fr= 1--      0.2398                 0.0099                 2.5691
 Beta2  Fr= 1--     10.5891                 1.3842                27.7653
 AlphaG Fr= 1--      0.1381                -0.0135                -0.2475
 Gamma2 Fr= 1--     -1.2019                -0.0592                 0.5051
 Delta2 Fr= 1--      0.7888                -1.3102                 0.1045
 Raman1 Fr= 1--     339.668                 40.541               1239.871
 ROA1   Fr= 1--     -90.139                -47.607                 51.834
 CID1   Fr= 1--      -0.265                 -1.174                  0.042
 Raman2 Fr= 1--     127.069                 16.611                333.184
 ROA2   Fr= 1--     -35.155                  9.061                 11.287
 CID2   Fr= 1--      -0.277                  0.545                  0.034
 Raman3 Fr= 1--     254.139                 33.221                666.368
 ROA3   Fr= 1--     -90.139                -47.607                 51.834
 CID3   Fr= 1--      -0.355                 -1.433                  0.078
 RC180  Fr= 1--       0.496                  0.639                  0.075
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.27  -0.07    -0.05  -0.02   0.01    -0.25   0.09  -0.01
     2   6    -0.09  -0.26   0.07     0.00   0.00  -0.00     0.24  -0.08   0.00
     3   6     0.10  -0.17   0.03     0.22  -0.12   0.02     0.20  -0.09   0.01
     4   6    -0.04   0.22  -0.05    -0.20   0.10  -0.01    -0.12   0.07  -0.01
     5   6    -0.17  -0.14   0.05     0.24   0.06  -0.03     0.15   0.03  -0.02
     6   6     0.13   0.08  -0.03    -0.24   0.02   0.01    -0.21   0.05   0.00
     7   6    -0.15  -0.09   0.03    -0.19   0.02   0.01     0.25  -0.07   0.00
     8   1    -0.34   0.01   0.02    -0.35   0.09   0.00    -0.32   0.11  -0.01
     9   1     0.18   0.13  -0.04    -0.21  -0.30   0.09    -0.09  -0.16   0.04
    10   1    -0.12   0.19  -0.04     0.18  -0.17   0.03     0.24  -0.14   0.02
    11   6    -0.00  -0.02   0.00     0.02  -0.02  -0.00     0.01  -0.01   0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    14   1     0.17   0.06  -0.02     0.11   0.03  -0.01     0.07   0.02  -0.01
    15   1     0.01  -0.00  -0.02    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    16   1    -0.00   0.02   0.00     0.01  -0.00   0.03     0.00   0.01   0.01
    17   1    -0.02   0.00   0.00    -0.02   0.00   0.00    -0.01  -0.00   0.01
    18   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00     0.00   0.00  -0.02     0.01  -0.00  -0.02
    21   6     0.21   0.16  -0.05     0.20   0.02  -0.02    -0.18  -0.01   0.01
    22   6     0.00  -0.24   0.06    -0.19   0.13  -0.02     0.15  -0.11   0.02
    23   6    -0.05   0.16  -0.04     0.19  -0.13   0.02    -0.23   0.11  -0.01
    24   8     0.01   0.02  -0.00     0.02  -0.02   0.00    -0.01   0.01  -0.00
    25   6    -0.01  -0.01   0.00     0.02  -0.00   0.00    -0.02   0.01  -0.00
    26   1     0.09  -0.20   0.04     0.15  -0.13   0.02    -0.30   0.16  -0.02
    27   1    -0.27  -0.18   0.06    -0.17  -0.25   0.07     0.09   0.20  -0.05
    28   1     0.23   0.05  -0.03    -0.28   0.06   0.00     0.31  -0.11   0.01
    29   1     0.01   0.00  -0.02    -0.06   0.05  -0.04     0.05  -0.04   0.04
    30   1     0.01   0.01   0.01    -0.05   0.06   0.02     0.05  -0.05  -0.02
    31   1    -0.03   0.03  -0.01     0.01   0.03  -0.01    -0.01  -0.02   0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1835.6012              3011.2051              3013.1942
 Red. masses --     10.4357                 1.0347                 1.0813
 Frc consts  --     20.7172                 5.5275                 5.7843
 IR Inten    --    403.0044                66.4052                 9.6799
 RamAct Fr= 1--     31.9717               225.5127                91.7547
  Dep-P Fr= 1--      0.3089                 0.0396                 0.1411
  Dep-U Fr= 1--      0.4720                 0.0762                 0.2472
 Alpha2 Fr= 1--      0.3193                 4.5660                 1.4508
 Beta2  Fr= 1--      2.5149                 2.8632                 3.7810
 AlphaG Fr= 1--     -1.0673                 0.0271                -0.3708
 Gamma2 Fr= 1--     -4.6107                -0.1858                -2.6514
 Delta2 Fr= 1--      0.5561                 0.1784                -2.6294
 Raman1 Fr= 1--     127.887                902.051                367.019
 ROA1   Fr= 1--    -424.828                -12.133               -338.674
 CID1   Fr= 1--      -3.322                 -0.013                 -0.923
 Raman2 Fr= 1--      30.179                 34.359                 45.372
 ROA2   Fr= 1--    -115.105                 -5.887                -42.598
 CID2   Fr= 1--      -3.814                 -0.171                 -0.939
 Raman3 Fr= 1--      60.357                 68.717                 90.744
 ROA3   Fr= 1--    -424.828                -12.133               -338.674
 CID3   Fr= 1--      -7.039                 -0.177                 -3.732
 RC180  Fr= 1--      -0.056                 -0.848                 -0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.01  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   1    -0.01  -0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    10   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.03  -0.03  -0.00    -0.00   0.00  -0.00     0.04  -0.07   0.03
    12   6     0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
    13   6     0.59   0.42  -0.17     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.02  -0.02  -0.04     0.01  -0.03   0.01    -0.42   0.83  -0.34
    15   1     0.01   0.03   0.03    -0.00   0.00  -0.00     0.04  -0.08   0.03
    16   1     0.02   0.05   0.03     0.00  -0.00   0.00     0.01   0.00   0.00
    17   1    -0.06  -0.03   0.10     0.00  -0.00  -0.00    -0.01  -0.02  -0.01
    18   8    -0.37  -0.26   0.12    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8    -0.04  -0.04  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   1    -0.07   0.16   0.41    -0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00  -0.00    -0.01   0.05  -0.01    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.01   0.02  -0.00    -0.00   0.00  -0.00
    28   1    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    29   1     0.00  -0.00   0.00    -0.11  -0.49  -0.45    -0.00  -0.02  -0.01
    30   1    -0.00  -0.00  -0.00    -0.04  -0.23   0.63    -0.00  -0.01   0.02
    31   1    -0.00   0.00   0.00     0.27   0.12  -0.05     0.01   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3050.3384              3068.4082              3114.0082
 Red. masses --      1.0348                 1.1060                 1.1027
 Frc consts  --      5.6729                 6.1353                 6.3002
 IR Inten    --     16.5044                34.2676                15.7118
 RamAct Fr= 1--    167.4473                65.7529                32.6883
  Dep-P Fr= 1--      0.0267                 0.7500                 0.6519
  Dep-U Fr= 1--      0.0520                 0.8571                 0.7893
 Alpha2 Fr= 1--      3.4953                 0.0000                 0.0575
 Beta2  Fr= 1--      1.4514                 9.3933                 4.2999
 AlphaG Fr= 1--     -0.5285                 0.0048                 0.0166
 Gamma2 Fr= 1--      0.7072                 0.3806                -5.3419
 Delta2 Fr= 1--      3.4471                 0.5151                -1.8898
 Raman1 Fr= 1--     669.789                263.012                130.753
 ROA1   Fr= 1--     178.200                 53.025               -573.295
 CID1   Fr= 1--       0.266                  0.202                 -4.385
 Raman2 Fr= 1--      17.416                112.719                 51.599
 ROA2   Fr= 1--     -10.603                  5.015               -113.087
 CID2   Fr= 1--      -0.609                  0.044                 -2.192
 Raman3 Fr= 1--      34.833                225.438                103.197
 ROA3   Fr= 1--     178.200                 53.025               -573.295
 CID3   Fr= 1--       5.116                  0.235                 -5.555
 RC180  Fr= 1--      -0.896                  0.714                  0.579
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.01  -0.03   0.01
     9   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.00
    10   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    12   6    -0.00  -0.00   0.05     0.00   0.00  -0.00     0.01  -0.09  -0.01
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.02   0.03  -0.01     0.00  -0.00   0.00    -0.03   0.07  -0.03
    15   1    -0.25   0.52  -0.23     0.00  -0.00   0.00    -0.30   0.59  -0.28
    16   1     0.47   0.03  -0.03    -0.00  -0.00   0.00    -0.03  -0.02   0.00
    17   1    -0.20  -0.50  -0.32     0.00   0.00   0.00     0.23   0.54   0.36
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    25   6     0.00  -0.00  -0.00    -0.01  -0.02  -0.09     0.00   0.00  -0.00
    26   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   1     0.00   0.00   0.00     0.13   0.52   0.45     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.06  -0.25   0.65    -0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.00  -0.01  -0.02    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.7215              3137.5546              3155.9987
 Red. masses --      1.1021                 1.0990                 1.0898
 Frc consts  --      6.3725                 6.3745                 6.3954
 IR Inten    --     17.8231                22.9914                 6.2709
 RamAct Fr= 1--    158.4683               172.1375                41.6019
  Dep-P Fr= 1--      0.4854                 0.4239                 0.2789
  Dep-U Fr= 1--      0.6536                 0.5954                 0.4362
 Alpha2 Fr= 1--      0.8363                 1.1680                 0.4540
 Beta2  Fr= 1--     17.2624                17.0825                 3.0243
 AlphaG Fr= 1--      0.6324                -0.0399                -0.2216
 Gamma2 Fr= 1--      5.7057                 0.0059                 0.6614
 Delta2 Fr= 1--     -0.1150                -0.1517                 1.0511
 Raman1 Fr= 1--     633.873                688.550                166.408
 ROA1   Fr= 1--     544.066                 -4.287                 97.135
 CID1   Fr= 1--       0.858                 -0.006                  0.584
 Raman2 Fr= 1--     207.149                204.990                 36.291
 ROA2   Fr= 1--     137.857                  1.355                  7.465
 CID2   Fr= 1--       0.665                  0.007                  0.206
 Raman3 Fr= 1--     414.298                409.981                 72.582
 ROA3   Fr= 1--     544.066                 -4.287                 97.135
 CID3   Fr= 1--       1.313                 -0.010                  1.338
 RC180  Fr= 1--       0.307                  0.191                 -0.128
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.08   0.02
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     8   1     0.01   0.01  -0.00     0.00   0.00  -0.00     0.36   0.89  -0.24
     9   1    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.02   0.02  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.09  -0.01  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.01  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.10  -0.25   0.11    -0.00   0.00  -0.00    -0.01   0.03  -0.01
    16   1     0.88   0.06  -0.07    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    17   1     0.10   0.29   0.18    -0.00  -0.00  -0.00     0.00   0.01   0.01
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.08  -0.05   0.02     0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.04  -0.08   0.02
    27   1     0.00  -0.00   0.00     0.02  -0.02   0.00    -0.01   0.01  -0.00
    28   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   1     0.00   0.00   0.00     0.02   0.13   0.14     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00     0.00   0.05  -0.18     0.00   0.00  -0.00
    31   1     0.01   0.00  -0.00     0.87   0.38  -0.15    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3162.7325              3174.0610              3181.3778
 Red. masses --      1.0866                 1.0892                 1.0944
 Frc consts  --      6.4037                 6.4650                 6.5261
 IR Inten    --      5.1240                 7.3930                12.8746
 RamAct Fr= 1--     77.2211                64.1796               128.9010
  Dep-P Fr= 1--      0.5913                 0.4120                 0.1909
  Dep-U Fr= 1--      0.7432                 0.5835                 0.3206
 Alpha2 Fr= 1--      0.2281                 0.4553                 1.7930
 Beta2  Fr= 1--      9.5651                 6.2418                 6.8878
 AlphaG Fr= 1--      0.1203                -0.0029                 0.1819
 Gamma2 Fr= 1--      1.7165                 0.2749                 0.0401
 Delta2 Fr= 1--      0.6548                 0.1785                -0.3053
 Raman1 Fr= 1--     308.885                256.719                515.604
 ROA1   Fr= 1--     185.735                 32.100                 -5.921
 CID1   Fr= 1--       0.601                  0.125                 -0.011
 Raman2 Fr= 1--     114.781                 74.902                 82.654
 ROA2   Fr= 1--      35.958                  5.169                  3.405
 CID2   Fr= 1--       0.313                  0.069                  0.041
 Raman3 Fr= 1--     229.562                149.804                165.307
 ROA3   Fr= 1--     185.735                 32.100                 -5.921
 CID3   Fr= 1--       0.809                  0.214                 -0.036
 RC180  Fr= 1--       0.486                  0.167                 -0.359
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.04  -0.06   0.01     0.00  -0.00   0.00     0.03  -0.04   0.01
     6   6     0.02   0.04  -0.01    -0.00  -0.00   0.00    -0.03  -0.06   0.02
     7   6     0.00   0.00  -0.00    -0.03  -0.08   0.02    -0.00  -0.00   0.00
     8   1    -0.00  -0.01   0.00     0.04   0.08  -0.02    -0.01  -0.03   0.01
     9   1    -0.51   0.65  -0.13    -0.00   0.01  -0.00    -0.33   0.41  -0.08
    10   1    -0.20  -0.49   0.13     0.00   0.01  -0.00     0.30   0.73  -0.20
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.00
    24   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.36   0.87  -0.23     0.00   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.11  -0.15   0.03    -0.00   0.00  -0.00
    28   1     0.01   0.03  -0.01     0.02   0.05  -0.01    -0.08  -0.18   0.05
    29   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.4167              3216.8358              3716.2858
 Red. masses --      1.0904                 1.0912                 1.0650
 Frc consts  --      6.5312                 6.6528                 8.6661
 IR Inten    --      6.2467                 6.3038               131.3129
 RamAct Fr= 1--    156.4145               133.7050               176.9596
  Dep-P Fr= 1--      0.2326                 0.2275                 0.2197
  Dep-U Fr= 1--      0.3774                 0.3706                 0.3602
 Alpha2 Fr= 1--      1.9453                 1.6864                 2.2799
 Beta2  Fr= 1--      9.8397                 8.2593                10.6236
 AlphaG Fr= 1--      0.0046                -0.0173                -2.9628
 Gamma2 Fr= 1--     -0.0644                -0.3482               -35.8484
 Delta2 Fr= 1--     -0.1603                 0.2944                 2.2807
 Raman1 Fr= 1--     625.658                534.820                707.839
 ROA1   Fr= 1--     -11.309                -24.009              -3368.466
 CID1   Fr= 1--      -0.018                 -0.045                 -4.759
 Raman2 Fr= 1--     118.077                 99.112                127.483
 ROA2   Fr= 1--      -0.262                -10.713               -878.608
 CID2   Fr= 1--      -0.002                 -0.108                 -6.892
 Raman3 Fr= 1--     236.153                198.224                254.967
 ROA3   Fr= 1--     -11.309                -24.009              -3368.466
 CID3   Fr= 1--      -0.048                 -0.121                -13.211
 RC180  Fr= 1--      -0.245                 -0.259                 -0.280
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.01  -0.02   0.00    -0.00   0.00  -0.00
     8   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.05   0.06  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   1     0.07   0.17  -0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.03   0.01
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.84   0.54  -0.09
    21   6     0.00   0.00  -0.00     0.05  -0.07   0.01     0.00   0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6    -0.03  -0.08   0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.02  -0.05   0.01     0.07   0.17  -0.04    -0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.59   0.76  -0.15     0.00  -0.00   0.00
    28   1     0.38   0.87  -0.23     0.00   0.01  -0.00     0.00   0.00  -0.00
    29   1    -0.00   0.00   0.00     0.01   0.01   0.01    -0.00  -0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.00   0.01  -0.02    -0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1382.138778633.188329145.70260
           X            0.99986  -0.01492  -0.00738
           Y            0.01467   0.99936  -0.03277
           Z            0.00787   0.03265   0.99944
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06267     0.01003     0.00947
 Rotational constants (GHZ):           1.30576     0.20905     0.19733
 Zero-point vibrational energy     657434.9 (Joules/Mol)
                                  157.13071 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.25    48.57    62.41   109.73   163.21
          (Kelvin)            199.80   265.42   292.02   316.06   334.56
                              363.80   401.31   445.17   546.65   583.61
                              595.53   600.05   695.88   696.48   745.44
                              769.68   808.83   839.14   863.96   906.96
                              992.85  1003.39  1061.31  1118.56  1127.49
                             1180.22  1188.12  1204.31  1232.64  1289.89
                             1327.76  1347.80  1372.54  1391.91  1409.80
                             1480.64  1538.72  1569.12  1581.18  1678.75
                             1686.99  1691.64  1699.80  1711.18  1727.27
                             1733.98  1805.93  1867.04  1867.64  1880.40
                             1907.26  1923.06  1994.74  2019.82  2029.17
                             2036.32  2095.44  2129.66  2146.93  2152.92
                             2153.04  2167.60  2194.89  2225.60  2312.20
                             2376.39  2410.94  2641.02  4332.45  4335.31
                             4388.76  4414.76  4480.36  4507.29  4514.24
                             4540.78  4550.47  4566.77  4577.29  4587.42
                             4628.31  5346.91
 
 Zero-point correction=                           0.250404 (Hartree/Particle)
 Thermal correction to Energy=                    0.265717
 Thermal correction to Enthalpy=                  0.266662
 Thermal correction to Gibbs Free Energy=         0.206220
 Sum of electronic and zero-point Energies=           -767.719664
 Sum of electronic and thermal Energies=              -767.704351
 Sum of electronic and thermal Enthalpies=            -767.703406
 Sum of electronic and thermal Free Energies=         -767.763848
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.740             58.780            127.210
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.056
 Vibrational            164.963             52.818             51.952
 Vibration     1          0.593              1.985              6.470
 Vibration     2          0.594              1.983              5.595
 Vibration     3          0.595              1.980              5.098
 Vibration     4          0.599              1.965              3.985
 Vibration     5          0.607              1.938              3.209
 Vibration     6          0.614              1.914              2.819
 Vibration     7          0.631              1.861              2.283
 Vibration     8          0.639              1.836              2.106
 Vibration     9          0.647              1.811              1.962
 Vibration    10          0.653              1.791              1.859
 Vibration    11          0.664              1.758              1.711
 Vibration    12          0.679              1.713              1.540
 Vibration    13          0.699              1.656              1.365
 Vibration    14          0.750              1.513              1.039
 Vibration    15          0.771              1.458              0.942
 Vibration    16          0.778              1.440              0.913
 Vibration    17          0.780              1.433              0.902
 Vibration    18          0.840              1.286              0.700
 Vibration    19          0.840              1.285              0.699
 Vibration    20          0.873              1.210              0.614
 Vibration    21          0.890              1.173              0.576
 Vibration    22          0.918              1.113              0.520
 Vibration    23          0.940              1.068              0.479
 Vibration    24          0.959              1.031              0.449
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.139773D-94        -94.854577       -218.410734
 Total V=0       0.210398D+21         20.323042         46.795534
 Vib (Bot)       0.272455-109       -109.564705       -252.282056
 Vib (Bot)    1  0.953540D+01          0.979339          2.255011
 Vib (Bot)    2  0.613220D+01          0.787616          1.813553
 Vib (Bot)    3  0.476832D+01          0.678365          1.561994
 Vib (Bot)    4  0.270192D+01          0.431673          0.993963
 Vib (Bot)    5  0.180417D+01          0.256277          0.590100
 Vib (Bot)    6  0.146471D+01          0.165753          0.381661
 Vib (Bot)    7  0.108707D+01          0.036258          0.083488
 Vib (Bot)    8  0.981278D+00         -0.008208         -0.018900
 Vib (Bot)    9  0.900564D+00         -0.045485         -0.104734
 Vib (Bot)   10  0.846091D+00         -0.072583         -0.167129
 Vib (Bot)   11  0.770830D+00         -0.113041         -0.260287
 Vib (Bot)   12  0.689694D+00         -0.161344         -0.371508
 Vib (Bot)   13  0.611344D+00         -0.213714         -0.492095
 Vib (Bot)   14  0.475896D+00         -0.322488         -0.742557
 Vib (Bot)   15  0.437592D+00         -0.358931         -0.826469
 Vib (Bot)   16  0.426178D+00         -0.370409         -0.852899
 Vib (Bot)   17  0.421965D+00         -0.374724         -0.862833
 Vib (Bot)   18  0.344703D+00         -0.462555         -1.065072
 Vib (Bot)   19  0.344285D+00         -0.463082         -1.066286
 Vib (Bot)   20  0.312088D+00         -0.505723         -1.164470
 Vib (Bot)   21  0.297577D+00         -0.526401         -1.212084
 Vib (Bot)   22  0.275889D+00         -0.559265         -1.287755
 Vib (Bot)   23  0.260427D+00         -0.584314         -1.345434
 Vib (Bot)   24  0.248541D+00         -0.604601         -1.392146
 Vib (V=0)       0.410123D+06          5.612914         12.924212
 Vib (V=0)    1  0.100485D+02          1.002101          2.307423
 Vib (V=0)    2  0.665255D+01          0.822988          1.895000
 Vib (V=0)    3  0.529446D+01          0.723822          1.666661
 Vib (V=0)    4  0.324780D+01          0.511589          1.177977
 Vib (V=0)    5  0.237217D+01          0.375146          0.863806
 Vib (V=0)    6  0.204770D+01          0.311267          0.716719
 Vib (V=0)    7  0.169655D+01          0.229566          0.528595
 Vib (V=0)    8  0.160132D+01          0.204478          0.470828
 Vib (V=0)    9  0.153006D+01          0.184707          0.425304
 Vib (V=0)   10  0.148279D+01          0.171079          0.393923
 Vib (V=0)   11  0.141879D+01          0.151919          0.349806
 Vib (V=0)   12  0.135187D+01          0.130934          0.301487
 Vib (V=0)   13  0.128977D+01          0.110513          0.254466
 Vib (V=0)   14  0.119027D+01          0.075647          0.174183
 Vib (V=0)   15  0.116444D+01          0.066119          0.152244
 Vib (V=0)   16  0.115698D+01          0.063327          0.145816
 Vib (V=0)   17  0.115426D+01          0.062303          0.143458
 Vib (V=0)   18  0.110731D+01          0.044267          0.101930
 Vib (V=0)   19  0.110707D+01          0.044174          0.101715
 Vib (V=0)   20  0.108941D+01          0.037190          0.085632
 Vib (V=0)   21  0.108185D+01          0.034168          0.078674
 Vib (V=0)   22  0.107106D+01          0.029816          0.068653
 Vib (V=0)   23  0.106376D+01          0.026842          0.061807
 Vib (V=0)   24  0.105837D+01          0.024636          0.056726
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.373952D+07          6.572816         15.134467
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2111111110000                             866655544444444333322222111110000999998888877766665555444443322222111    
     1            1887653316511                             3750420999851108320995008877699628653295322873993086318811080753208317432
     6            7814368348031                             6627767662065046767885519163791990747377760478700032584474609933034936342
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                     X  X                             XXX XXX         X X XX  X X    X      X           X  X                   
     X                        X                             XXX X           X X XX  X X    X                                         
     X                                                      XXX X           X X XX    X                                              
     X                                                      X               X X X                                                    
     X                                                      X               X X X                                                    
     X                                                      X               X X X                                                    
                                                            X                 X X                                                    
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001794   -0.000000985    0.000000243
      2        6           0.000002109   -0.000001420    0.000000115
      3        6          -0.000002264   -0.000001078    0.000000118
      4        6           0.000000100    0.000001040    0.000001378
      5        6           0.000001357    0.000000498   -0.000000323
      6        6          -0.000001937    0.000000896   -0.000000518
      7        6          -0.000002351    0.000000313    0.000000201
      8        1           0.000000290    0.000000696    0.000000174
      9        1           0.000000226   -0.000000047   -0.000000068
     10        1           0.000000516   -0.000000305   -0.000000097
     11        6           0.000002790    0.000001082   -0.000002405
     12        6           0.000002238    0.000000670    0.000001504
     13        6          -0.000010757   -0.000003045    0.000009697
     14        1           0.000000020    0.000000448   -0.000000071
     15        1          -0.000000449   -0.000000003   -0.000000083
     16        1          -0.000000169    0.000000520    0.000000081
     17        1          -0.000000550    0.000000615    0.000000133
     18        8           0.000006505    0.000003850   -0.000003189
     19        8           0.000001760   -0.000001745   -0.000007030
     20        1           0.000000842    0.000000284    0.000000411
     21        6          -0.000000446    0.000002132   -0.000000821
     22        6           0.000006738   -0.000003367    0.000000763
     23        6          -0.000003416    0.000002209    0.000000172
     24        8          -0.000006440    0.000003526   -0.000002390
     25        6           0.000002905   -0.000006946    0.000002879
     26        1           0.000000250   -0.000000069    0.000000080
     27        1          -0.000000246   -0.000000864    0.000000319
     28        1           0.000000355   -0.000000411   -0.000000191
     29        1          -0.000000298    0.000000484   -0.000000222
     30        1          -0.000000509    0.000000478   -0.000000815
     31        1          -0.000000964    0.000000546   -0.000000044
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010757 RMS     0.000002558
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.294609D+03 -0.171241D+02 -0.789277D+01
      2  -0.171241D+02  0.174439D+03 -0.113019D+02
      3  -0.789277D+01 -0.113019D+02  0.120237D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.596941D+01  0.198626D+02 -0.257822D+01
      2  -0.100304D+01 -0.157469D+02 -0.273143D+02
      3   0.128761D+03 -0.545700D+02  0.194459D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.361919D+03 -0.182483D+03  0.176318D+02
      2  -0.178476D+03  0.143417D+03 -0.489136D+02
      3  -0.183443D+03  0.390669D+02  0.312818D+02
      4  -0.108606D+03  0.984897D+02 -0.436701D+02
      5   0.771698D+02 -0.529657D+02 -0.544506D+02
      6  -0.181792D+02  0.148510D+02 -0.450339D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.406370D+02  0.125290D+02 -0.922851D+00 -0.384928D+02  0.772395D+01
      2   0.125290D+02 -0.778786D+01  0.114128D+01  0.772395D+01 -0.594372D+01
      3  -0.922851D+00  0.114128D+01  0.323496D-01  0.893231D-01  0.803392D+00
                 6             7             8             9            10 
      1   0.893231D-01  0.121468D+02 -0.304919D+01 -0.104498D+01  0.379611D+02
      2   0.803392D+00 -0.304919D+01  0.158063D+01 -0.936242D+00 -0.123410D+02
      3  -0.199823D+00 -0.104498D+01 -0.936242D+00  0.656636D+00  0.844540D+00
                11            12            13            14            15 
      1  -0.123410D+02  0.844540D+00  0.416981D+02 -0.878809D+01  0.306485D-01
      2   0.408902D+01 -0.216097D+00 -0.878809D+01  0.814437D+01 -0.125885D+01
      3  -0.216097D+00  0.737537D-01  0.306485D-01 -0.125885D+01  0.234215D+00
                16            17            18            19            20 
      1  -0.124671D+02  0.321298D+01  0.846140D+00  0.408504D+02 -0.122148D+02
      2   0.321298D+01 -0.186697D+01  0.103297D+01 -0.122148D+02  0.113033D+02
      3   0.846140D+00  0.103297D+01 -0.500425D+00  0.105378D+01 -0.214673D+01
                21            22            23            24            25 
      1   0.105378D+01 -0.211245D+02  0.369492D+01 -0.378769D+00  0.367678D+01
      2  -0.214673D+01  0.369492D+01 -0.810186D+01  0.433521D+00 -0.662714D+00
      3   0.603273D+00 -0.378769D+00  0.433521D+00 -0.163292D+01 -0.461917D+00
                26            27            28            29            30 
      1  -0.662714D+00 -0.461917D+00 -0.466373D+02  0.651488D+01  0.162276D+00
      2  -0.323578D+00 -0.325002D+01  0.651488D+01 -0.462392D+01  0.980694D-01
      3  -0.325002D+01  0.217081D+01  0.162276D+00  0.980694D-01 -0.207449D+01
                31            32            33            34            35 
      1   0.841377D+01 -0.279642D+01 -0.120531D+01 -0.533618D+01 -0.948745D+00
      2  -0.279642D+01  0.172288D+02 -0.376113D+01 -0.948745D+00 -0.309639D+01
      3  -0.120531D+01 -0.376113D+01  0.851172D+00 -0.667915D+01  0.178595D+01
                36            37            38            39            40 
      1  -0.667915D+01 -0.367715D+01 -0.255679D+01  0.707826D+00  0.102253D+02
      2   0.178595D+01 -0.255679D+01 -0.137748D+02  0.317835D+01 -0.231084D+01
      3   0.148480D-01  0.707826D+00  0.317835D+01 -0.240237D+01 -0.840283D+00
                41            42            43            44            45 
      1  -0.231084D+01 -0.840283D+00 -0.263879D+01 -0.550445D+00 -0.526708D+01
      2  -0.664171D+01  0.277861D+01 -0.550445D+00  0.372298D+01  0.199316D+01
      3   0.277861D+01  0.700116D+00 -0.526708D+01  0.199316D+01 -0.920195D+00
                46            47            48            49            50 
      1   0.101271D+02  0.197448D+01 -0.856955D+00 -0.190093D-01 -0.315283D+01
      2   0.197448D+01  0.968834D+01 -0.174757D+01 -0.315283D+01  0.100829D+01
      3  -0.856955D+00 -0.174757D+01  0.181279D+01  0.116701D+01  0.138743D+01
                51            52            53            54            55 
      1   0.116701D+01 -0.252950D+00  0.109421D+01  0.108286D+01 -0.549002D+01
      2   0.138743D+01  0.109421D+01  0.136820D+01  0.401070D+01 -0.322600D+01
      3   0.678750D+00  0.108286D+01  0.401070D+01 -0.247324D+01  0.100943D+01
                56            57            58            59            60 
      1  -0.322600D+01  0.100943D+01 -0.634807D+00  0.362436D+01 -0.121043D+01
      2  -0.515811D+01  0.826584D+00  0.362436D+01 -0.302733D+01 -0.753433D+00
      3   0.826584D+00 -0.180521D+01 -0.121043D+01 -0.753433D+00 -0.686884D+00
                61            62            63            64            65 
      1   0.229663D+00 -0.118213D+01 -0.598085D+00 -0.175195D+01 -0.219330D+01
      2  -0.118213D+01 -0.832988D+00 -0.369102D+01 -0.219330D+01 -0.112487D+01
      3  -0.598085D+00 -0.369102D+01  0.242295D+01  0.595714D+00  0.304038D+00
                66            67            68            69            70 
      1   0.595714D+00 -0.288696D+01 -0.265653D+01  0.787622D+00  0.826727D+00
      2   0.304038D+00 -0.265653D+01 -0.522436D+01  0.128069D+01  0.773227D+00
      3  -0.400746D+00  0.787622D+00  0.128069D+01 -0.113421D+01 -0.334530D+00
                71            72            73            74            75 
      1   0.773227D+00 -0.334530D+00 -0.550346D+01  0.343056D+01 -0.460538D+00
      2   0.129318D+01 -0.388376D+00  0.343056D+01 -0.355944D+01  0.567069D+00
      3  -0.388376D+00  0.356067D+00 -0.460538D+00  0.567069D+00 -0.510042D+00
                76            77            78            79            80 
      1   0.389242D+01 -0.458754D+01  0.976901D+00 -0.543177D+00  0.102089D+01
      2  -0.458754D+01  0.648910D+01 -0.101049D+01  0.102089D+01 -0.120082D+01
      3   0.976901D+00 -0.101049D+01  0.888861D+00  0.306163D+00  0.420512D+00
                81            82            83            84            85 
      1   0.306163D+00  0.126047D+01  0.182656D+01 -0.503065D+00  0.804073D+00
      2   0.420512D+00  0.182656D+01  0.273275D+01 -0.700113D+00  0.185835D+01
      3  -0.324162D+00 -0.503065D+00 -0.700113D+00  0.464857D+00 -0.440772D+00
                86            87            88            89            90 
      1   0.185835D+01 -0.440772D+00 -0.284399D+00 -0.498415D+00  0.116168D+00
      2   0.960129D+01 -0.220589D+01 -0.498415D+00 -0.247542D+01  0.615551D+00
      3  -0.220589D+01  0.141622D+01  0.116168D+00  0.615551D+00 -0.403650D+00
                91            92            93            94            95 
      1   0.136244D+02 -0.184978D+01  0.332996D+00  0.430799D+01  0.123973D+01
      2  -0.184978D+01  0.168966D+01  0.731311D+00  0.123973D+01 -0.251965D+01
      3   0.332996D+00  0.731311D+00  0.262126D+01  0.660363D+00  0.218795D+01
                96            97            98            99           100 
      1   0.660363D+00 -0.335830D+01  0.143448D+01  0.740931D+01  0.840326D+01
      2   0.218795D+01  0.143448D+01  0.191500D+01 -0.167843D+00  0.321472D+00
      3   0.916283D+00  0.740931D+01 -0.167843D+00 -0.195769D+01 -0.190543D+01
               101           102           103           104           105 
      1   0.321472D+00 -0.190543D+01 -0.446892D+00 -0.187872D+01 -0.191466D+00
      2  -0.180196D+01 -0.356975D+00 -0.187872D+01 -0.940790D-02 -0.355624D+01
      3  -0.356975D+00 -0.209453D+01 -0.191466D+00 -0.355624D+01 -0.794827D+00
               106           107           108           109           110 
      1   0.552234D+01 -0.749926D+00 -0.499507D+01  0.558304D+01  0.364781D+01
      2  -0.749926D+00 -0.252733D+01 -0.153013D+00  0.364781D+01  0.162149D+01
      3  -0.499507D+01 -0.153013D+00  0.301177D+01 -0.167204D+01 -0.549070D+00
               111           112           113           114           115 
      1  -0.167204D+01  0.114937D+01  0.169812D+01 -0.132124D+01 -0.670603D+01
      2  -0.549070D+00  0.169812D+01  0.898848D+00 -0.112360D+01 -0.179806D+01
      3  -0.727668D+00 -0.132124D+01 -0.112360D+01 -0.111447D+00 -0.318116D+01
               116           117           118           119           120 
      1  -0.179806D+01 -0.318116D+01 -0.143077D+01  0.228479D+01 -0.888913D+00
      2  -0.169840D+01 -0.509438D-01  0.228479D+01 -0.195112D+01  0.100784D+00
      3  -0.509438D-01  0.345302D+00 -0.888913D+00  0.100784D+00 -0.128353D+01
               121           122           123           124           125 
      1   0.443786D+01 -0.212493D+01  0.243280D+00 -0.157235D+01  0.167337D+00
      2  -0.212493D+01  0.501996D+01 -0.117237D+01  0.167337D+00 -0.153554D+01
      3   0.243280D+00 -0.117237D+01  0.141032D+01 -0.155037D+01  0.108713D+01
               126           127           128           129           130 
      1  -0.155037D+01  0.487885D+00 -0.633360D+00  0.229977D+00 -0.193048D+01
      2   0.108713D+01 -0.633360D+00  0.945601D+00 -0.431064D+00  0.210967D+00
      3  -0.698023D+00  0.229977D+00 -0.431064D+00  0.159584D+01  0.392189D+00
               131           132           133           134           135 
      1   0.210967D+00  0.392189D+00  0.381995D+00 -0.995368D-02  0.359100D+00
      2  -0.321891D+01  0.210044D+01 -0.995368D-02  0.161483D+01 -0.129060D+01
      3   0.210044D+01 -0.273430D+01  0.359100D+00 -0.129060D+01  0.213580D+01
               136           137           138           139           140 
      1  -0.147050D+02  0.137704D+00  0.368540D+01 -0.676999D+00 -0.106615D+01
      2   0.137704D+00 -0.839638D+00 -0.220622D+00 -0.106615D+01 -0.115706D+00
      3   0.368540D+01 -0.220622D+00 -0.247445D+01  0.424689D-01  0.622326D+00
               141           142           143           144           145 
      1   0.424689D-01  0.148315D+01  0.129452D+00 -0.125540D+01 -0.245767D+00
      2   0.622326D+00  0.129452D+00  0.128147D+00 -0.652719D-01  0.760739D+00
      3  -0.179098D+00 -0.125540D+01 -0.652719D-01  0.367804D+00  0.631140D+00
               146           147           148           149           150 
      1   0.760739D+00  0.631140D+00  0.150983D+01  0.756880D-01 -0.451993D+00
      2   0.993214D+00  0.677196D+00  0.756880D-01  0.382715D+01  0.296845D+01
      3   0.677196D+00  0.151550D+01 -0.451993D+00  0.296845D+01  0.354439D+01
               151           152           153           154           155 
      1   0.253197D+00 -0.639668D-01  0.118717D+00 -0.155525D+02 -0.501149D+01
      2  -0.639668D-01  0.216094D+01  0.223072D+01 -0.501149D+01 -0.309622D+01
      3   0.118717D+00  0.223072D+01  0.356579D+01  0.113177D+01 -0.163130D+00
               156           157           158           159           160 
      1   0.113177D+01 -0.795714D+01 -0.579171D+01  0.697174D+00  0.175363D+01
      2  -0.163130D+00 -0.579171D+01 -0.511691D+01  0.667004D+00  0.798801D+00
      3  -0.247649D+01  0.697174D+00  0.667004D+00 -0.151994D+01 -0.230226D+01
               161           162           163           164           165 
      1   0.798801D+00 -0.230226D+01 -0.970746D+01 -0.324411D+01 -0.265546D+01
      2   0.129552D+01 -0.124110D+01 -0.324411D+01 -0.538093D+00 -0.485457D-01
      3  -0.124110D+01  0.181881D+01 -0.265546D+01 -0.485457D-01 -0.101393D+01
               166           167           168           169           170 
      1  -0.656674D+01 -0.136651D+01 -0.980329D+00  0.448972D+00  0.232887D+00
      2  -0.136651D+01 -0.124563D+01 -0.179341D+01  0.232887D+00 -0.449373D+00
      3  -0.980329D+00 -0.179341D+01 -0.231118D+01 -0.785886D+00 -0.140512D+01
               171           172           173           174           175 
      1  -0.785886D+00  0.924155D+01  0.280436D+01  0.103425D+01  0.799535D+01
      2  -0.140512D+01  0.280436D+01  0.993845D+00  0.520730D+00  0.158542D+01
      3  -0.665602D+01  0.103425D+01  0.520730D+00  0.247773D+01  0.137589D+01
               176           177           178           179           180 
      1   0.158542D+01  0.137589D+01  0.455962D+01  0.770693D+00  0.199178D+01
      2   0.616874D+00 -0.315097D+00  0.770693D+00 -0.857279D+00  0.661761D+00
      3  -0.315097D+00  0.164681D+01  0.199178D+01  0.661761D+00 -0.116635D+01
               181           182           183           184           185 
      1   0.451185D+01  0.243458D+01 -0.556986D+00 -0.138791D+02  0.450958D+01
      2   0.243458D+01  0.966358D+01 -0.231346D+01  0.450958D+01  0.326179D+01
      3  -0.556986D+00 -0.231346D+01  0.234458D+01  0.597561D+00 -0.212710D+01
               186           187           188           189           190 
      1   0.597561D+00  0.362055D+01 -0.491358D+00  0.405903D+01  0.373503D+02
      2  -0.212710D+01 -0.491358D+00 -0.284229D+01 -0.220422D+01 -0.853292D+01
      3  -0.701296D+00  0.405903D+01 -0.220422D+01  0.979441D+00  0.522712D+00
               191           192           193           194           195 
      1  -0.853292D+01  0.522712D+00 -0.473083D+01  0.284877D+01  0.127690D+01
      2   0.928695D+01 -0.118888D+01  0.284877D+01 -0.141741D+02  0.296908D+01
      3  -0.118888D+01  0.286974D+01  0.127690D+01  0.296908D+01 -0.815698D+00
               196           197           198           199           200 
      1  -0.336625D+00  0.144556D+01  0.653779D+01 -0.356798D+02  0.129078D+02
      2   0.144556D+01  0.213657D+01 -0.211016D+01  0.129078D+02 -0.933260D+01
      3   0.653779D+01 -0.211016D+01 -0.101844D+00 -0.104081D+01  0.181344D+01
               201           202           203           204           205 
      1  -0.104081D+01  0.193941D+02 -0.594093D+01  0.550887D+00 -0.234686D+01
      2   0.181344D+01 -0.594093D+01  0.826400D+01 -0.853921D-01  0.101320D+01
      3  -0.515391D+00  0.550887D+00 -0.853921D-01  0.152018D+01  0.365544D+00
               206           207           208           209           210 
      1   0.101320D+01  0.365544D+00 -0.931805D+01  0.495766D+01 -0.722387D+00
      2   0.832828D+00  0.427870D+01  0.495766D+01 -0.390316D+01  0.738451D+00
      3   0.427870D+01 -0.264942D+01 -0.722387D+00  0.738451D+00  0.107937D+00
               211           212           213           214           215 
      1  -0.502618D-01  0.268847D+01 -0.649500D+00  0.643664D+00 -0.876849D+00
      2   0.268847D+01  0.121940D+01 -0.476177D+00 -0.876849D+00  0.306753D+00
      3  -0.649500D+00 -0.476177D+00 -0.647962D+00  0.417602D+00  0.710986D+00
               216           217           218           219           220 
      1   0.417602D+00 -0.623787D+00 -0.444673D+01  0.104356D+01 -0.515205D+01
      2   0.710986D+00 -0.444673D+01  0.197805D+01  0.130701D+00 -0.110474D+01
      3  -0.207465D+00  0.104356D+01  0.130701D+00  0.625866D-01  0.499277D+00
               221           222           223           224           225 
      1  -0.110474D+01  0.499277D+00  0.103759D+01  0.460431D+00 -0.204970D+01
      2   0.227515D+01  0.195144D+01  0.460431D+00  0.145803D+01  0.377272D+01
      3   0.195144D+01  0.488685D+01 -0.204970D+01  0.377272D+01 -0.313089D+01
               226           227           228           229           230 
      1  -0.897496D+00 -0.160836D+01  0.441266D+00 -0.540486D+00 -0.127178D+01
      2  -0.160836D+01 -0.237007D+01  0.619320D+00 -0.127178D+01 -0.837447D+01
      3   0.441266D+00  0.619320D+00 -0.424040D+00  0.319854D+00  0.191995D+01
               231           232           233           234           235 
      1   0.319854D+00  0.203561D+00  0.428286D+00  0.339390D-02  0.656345D+01
      2   0.191995D+01  0.428286D+00  0.208842D+01 -0.549692D+00 -0.305479D+01
      3  -0.131715D+01  0.339390D-02 -0.549692D+00  0.372384D+00  0.321969D+00
               236           237           238           239           240 
      1  -0.305479D+01  0.321969D+00 -0.420299D+01  0.445265D+01 -0.972912D+00
      2   0.274312D+01 -0.424283D+00  0.445265D+01 -0.558127D+01  0.917375D+00
      3  -0.424283D+00  0.333930D+00 -0.972912D+00  0.917375D+00 -0.776666D+00
               241           242           243           244           245 
      1   0.518072D+00 -0.971633D+00 -0.278684D+00  0.200043D+01  0.281973D+01
      2  -0.971633D+00  0.112572D+01 -0.224986D+00  0.281973D+01  0.216655D+01
      3  -0.278684D+00 -0.224986D+00  0.245680D+00 -0.771779D+00 -0.604473D+00
               246           247           248           249           250 
      1  -0.771779D+00  0.342903D+01  0.348943D+01 -0.940249D+00 -0.927008D+00
      2  -0.604473D+00  0.348943D+01  0.689642D+01 -0.166265D+01 -0.940890D+00
      3   0.585201D+00 -0.940249D+00 -0.166265D+01  0.132971D+01  0.509584D+00
               251           252           253           254           255 
      1  -0.940890D+00  0.509584D+00 -0.623423D+00 -0.676273D-01 -0.819929D+00
      2  -0.175837D+01  0.447749D+00 -0.676273D-01 -0.583633D+00 -0.167662D-01
      3   0.447749D+00 -0.401374D+00 -0.819929D+00 -0.167662D-01 -0.488027D+00
               256           257           258           259           260 
      1  -0.234850D+01  0.244957D+01  0.119265D+01 -0.336993D+01  0.164075D+01
      2   0.244957D+01 -0.490195D+01 -0.267480D+01  0.164075D+01 -0.293680D+01
      3   0.119265D+01 -0.267480D+01 -0.267492D+01  0.179874D+01 -0.272633D+01
               261           262           263           264           265 
      1   0.179874D+01  0.131825D+00  0.170313D+00  0.112313D+01 -0.593106D+00
      2  -0.272633D+01  0.170313D+00 -0.419770D+00 -0.255383D+00  0.125972D+01
      3  -0.294257D+01  0.112313D+01 -0.255383D+00 -0.319513D-01 -0.104537D+01
               266           267           268           269           270 
      1   0.125972D+01 -0.104537D+01  0.478949D+01 -0.174350D+01  0.318776D+01
      2  -0.171097D+01  0.136266D+01 -0.174350D+01  0.183431D+01 -0.243982D+01
      3   0.136266D+01 -0.212377D+01  0.318776D+01 -0.243982D+01  0.632086D+01
               271           272           273           274           275 
      1   0.143839D+02  0.145861D+01 -0.109459D+01  0.497658D+01  0.142801D+01
      2   0.145861D+01  0.969808D+00 -0.641664D-01  0.142801D+01  0.115642D+01
      3  -0.109459D+01 -0.641664D-01  0.122153D+01 -0.271361D+00 -0.373695D+00
               276           277           278           279 
      1  -0.271361D+00 -0.195608D+01 -0.853987D-01  0.167461D+01
      2  -0.373695D+00 -0.853987D-01 -0.460518D+00 -0.153851D+00
      3   0.338199D+00  0.167461D+01 -0.153851D+00 -0.251629D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.243151D+01  0.258820D+01 -0.164184D+00  0.216671D+01 -0.746619D+00
      2   0.245506D+01  0.926559D+01 -0.132876D+01  0.680950D+01 -0.750542D+01
      3  -0.153031D+02  0.439778D+02 -0.102783D+02  0.196540D+02 -0.293122D+02
                 6             7             8             9            10 
      1  -0.248648D+00 -0.475862D+01  0.860484D+01 -0.196651D+01 -0.184428D+00
      2   0.189447D+01 -0.196284D+02  0.334979D+01  0.142391D+00 -0.252109D+00
      3   0.608883D+01  0.159123D+01  0.317834D+01 -0.452128D+00  0.328976D+02
                11            12            13            14            15 
      1   0.343120D+01 -0.127186D+01  0.172071D-01  0.822730D+00  0.159977D+00
      2   0.102009D+02 -0.572579D+01  0.515875D+01 -0.629605D+01  0.149635D+01
      3   0.369167D+02 -0.101408D+02  0.697102D+02 -0.342960D+02  0.433329D+01
                16            17            18            19            20 
      1  -0.455967D+01  0.739503D+01 -0.164094D+01 -0.346778D+01 -0.607588D+00
      2  -0.214952D+02  0.311845D+01  0.523996D+00 -0.527106D+01 -0.776307D+01
      3  -0.139201D+02  0.509446D+01 -0.491233D+00  0.134303D+02 -0.401670D+02
                21            22            23            24            25 
      1   0.188962D+00 -0.771391D+00 -0.121506D+00 -0.882708D+00 -0.587674D+01
      2   0.107729D+01 -0.276048D+01  0.318054D+01  0.700422D+00 -0.188777D+02
      3   0.958701D+01 -0.955057D+01  0.617754D+01 -0.242623D+01  0.779099D+01
                26            27            28            29            30 
      1   0.305385D+01 -0.107332D+01 -0.359931D+00  0.149686D+01  0.632525D+00
      2   0.826257D+01 -0.189538D+01 -0.546876D+00  0.299572D+01  0.722846D+00
      3  -0.246542D+01 -0.175007D+01 -0.365876D+02  0.129806D+02 -0.182191D+01
                31            32            33            34            35 
      1   0.498231D+01  0.505128D+01 -0.229055D+00  0.431791D+01  0.129729D+02
      2   0.361647D+01 -0.171799D+01  0.187336D+00 -0.118638D+02  0.138169D+01
      3   0.324004D+02 -0.109842D+02 -0.140393D+00 -0.541447D+01 -0.117140D+01
                36            37            38            39            40 
      1  -0.259609D+01 -0.316618D+00  0.537772D+00  0.519973D+01  0.295550D+01
      2   0.405977D+00 -0.454194D+01  0.161643D+01  0.104383D+01 -0.253110D+01
      3  -0.368719D+01 -0.177720D+02  0.601898D+01 -0.162150D+01  0.866966D+01
                41            42            43            44            45 
      1  -0.482036D+00 -0.166860D+01  0.182050D+02  0.425523D+01 -0.148327D+01
      2  -0.286662D+01 -0.111031D+01 -0.810036D+01 -0.753234D+01  0.214712D+01
      3  -0.133999D+01 -0.123643D+01 -0.257259D+01 -0.314416D+00 -0.757183D+01
                46            47            48            49            50 
      1   0.504816D+00 -0.278581D+01 -0.436570D+01 -0.302505D+01 -0.296909D+00
      2   0.663282D+01 -0.794064D+01  0.203989D+01 -0.612444D+01  0.728045D+01
      3   0.359875D+02 -0.332194D+02  0.676986D+01 -0.775148D+01  0.268519D+02
                51            52            53            54            55 
      1  -0.251104D+01 -0.979406D+01 -0.517904D+01  0.381826D+01  0.632102D+00
      2  -0.149648D+01 -0.155515D+02  0.412233D-01  0.191548D+01  0.726681D+01
      3  -0.448993D+01  0.477154D+01 -0.322592D+01  0.609873D+01  0.343695D+02
                56            57            58            59            60 
      1  -0.409652D+01 -0.313571D+01 -0.162622D+01  0.630969D+00 -0.149217D+01
      2  -0.907474D+01 -0.244939D+01 -0.693226D+01  0.648665D+01 -0.260057D+01
      3  -0.347592D+02  0.853823D+01 -0.602635D+01  0.339411D+02 -0.476917D+01
                61            62            63            64            65 
      1  -0.830320D+01 -0.307302D+01  0.189101D+01 -0.291968D+00 -0.549936D+00
      2  -0.210373D+02 -0.308607D+01  0.567315D+01  0.843799D+00  0.655509D+00
      3   0.625553D+01 -0.266578D+01  0.111259D+02  0.723949D+00 -0.251178D+00
                66            67            68            69            70 
      1  -0.133018D+01 -0.796782D+00 -0.158993D+01 -0.282086D+01 -0.802411D+00
      2   0.276276D+00  0.114280D+01 -0.537902D+00  0.177705D+01 -0.207885D+01
      3   0.108521D+00  0.314152D+01 -0.547832D+01  0.131053D+01 -0.222465D+00
                71            72            73            74            75 
      1   0.245737D+01  0.386119D+00 -0.347465D+00  0.311343D+00  0.246987D+01
      2  -0.946429D+00  0.810953D-01 -0.149327D+01  0.118353D+00  0.179254D+01
      3   0.139769D+01  0.441322D+00 -0.987643D+01  0.151988D+01 -0.201339D+00
                76            77            78            79            80 
      1  -0.128973D+01  0.333155D+00 -0.367664D+01 -0.307669D+01  0.108752D+01
      2  -0.371001D+00  0.340552D+00 -0.241934D+01 -0.201477D+01 -0.179183D+00
      3   0.411237D+01  0.765407D+00  0.752679D+00  0.436762D+00 -0.191106D+00
                81            82            83            84            85 
      1   0.688338D+00  0.646230D+00  0.338497D+00 -0.186903D+01  0.637830D+00
      2   0.827558D+00  0.125510D+01  0.674655D+00  0.638511D+00  0.101437D+01
      3   0.136019D+01  0.592704D+01  0.293077D+01 -0.123762D+01  0.508678D+01
                86            87            88            89            90 
      1   0.122207D+01 -0.516875D+01  0.127856D+01  0.215712D+01  0.639509D+00
      2   0.109308D+01  0.990039D+00 -0.913174D+00  0.355323D+00 -0.668142D+00
      3   0.364169D+01 -0.144983D+01 -0.139808D+01 -0.159188D+01 -0.516958D+00
                91            92            93            94            95 
      1   0.252611D+01  0.887307D+00 -0.150559D+01  0.565080D+01  0.466636D+00
      2  -0.434775D+01 -0.177350D+01 -0.554102D+01 -0.193639D+01 -0.992009D+01
      3   0.119022D+02  0.101659D+01  0.196132D+01  0.219987D+02 -0.145588D+02
                96            97            98            99           100 
      1  -0.221653D+01 -0.188185D+01  0.525756D+01  0.983183D+00  0.361889D+01
      2  -0.150422D+01 -0.326736D+02  0.105791D+01  0.547833D+01 -0.993555D+01
      3   0.961848D+01 -0.839789D+00  0.132792D+02  0.698339D+01  0.523476D+01
               101           102           103           104           105 
      1  -0.636848D+01  0.871826D+00 -0.246595D+01  0.519173D+00 -0.117066D+02
      2  -0.949287D+00  0.160805D+02 -0.273503D+01  0.188257D+02  0.300863D+01
      3  -0.141760D+02 -0.216387D+00 -0.836580D+01  0.171875D+01 -0.157991D+02
               106           107           108           109           110 
      1   0.296261D+01 -0.613863D+01 -0.352760D+01 -0.376564D+01  0.195391D+01
      2   0.173890D+02 -0.187111D+00 -0.649028D+01  0.104517D+02  0.574612D+01
      3   0.663164D+01 -0.149037D+02 -0.493887D+01 -0.747957D+01  0.699412D+01
               111           112           113           114           115 
      1   0.955773D+01 -0.854893D+01 -0.727022D+01 -0.499973D+01  0.905557D+01
      2   0.325095D+01  0.676878D+01  0.496181D+01 -0.999854D+01  0.495781D+01
      3  -0.778754D+01  0.692633D+01  0.183161D+02 -0.407977D+01 -0.145743D+02
               116           117           118           119           120 
      1   0.177469D+01  0.510542D+01  0.136438D+01 -0.932887D+00  0.110680D+01
      2  -0.281863D+01  0.346504D+01  0.394884D+01 -0.131866D+01  0.553369D+01
      3  -0.891082D+01 -0.364863D+01  0.897248D+01 -0.698885D+01  0.541619D-01
               121           122           123           124           125 
      1  -0.116502D+01  0.168641D+01 -0.278030D+01  0.100094D+01 -0.207251D+00
      2  -0.162446D+01  0.524692D+01 -0.543117D+01  0.341957D+01 -0.388469D+01
      3  -0.723535D+00  0.180122D+02 -0.458045D+01 -0.110892D+01 -0.630408D+01
               126           127           128           129           130 
      1   0.775005D+00 -0.260689D+01  0.322247D+01 -0.849241D+00  0.137476D+01
      2   0.273571D+01 -0.420307D+01  0.374183D+01 -0.601386D+01  0.355085D+01
      3   0.265523D+01 -0.493905D+01  0.444796D+01 -0.209083D+01  0.364463D+01
               131           132           133           134           135 
      1  -0.886286D+01  0.337772D+01 -0.286397D+00  0.517060D+01 -0.292448D+01
      2  -0.991899D+01  0.993290D+01 -0.295857D+01  0.512282D+01 -0.879290D+01
      3  -0.134036D+02  0.880088D+01 -0.967295D-01  0.594802D+01 -0.539981D+01
               136           137           138           139           140 
      1  -0.251638D+01 -0.269037D+01  0.708430D+00 -0.234044D+01 -0.108901D+01
      2   0.967411D+01  0.834205D+00  0.755964D+01  0.840501D+00 -0.608322D+00
      3  -0.719965D+01 -0.626335D+01  0.104864D+01 -0.396590D+01 -0.130951D+01
               141           142           143           144           145 
      1   0.360920D+00  0.132973D+00  0.135666D+01 -0.393335D+00  0.164532D+01
      2   0.111072D+01  0.111071D+01  0.102969D+01  0.845822D+00 -0.394643D+01
      3   0.219299D+01 -0.181919D+00  0.261556D+01 -0.137711D+01  0.316217D+01
               146           147           148           149           150 
      1   0.297460D+01  0.147981D+00  0.173239D+01  0.774503D+01  0.258500D+01
      2  -0.391067D+01 -0.634696D+01 -0.224286D+01 -0.123532D+02 -0.128263D+02
      3   0.439461D+01  0.245657D+01  0.362515D+01  0.141304D+02  0.103785D+02
               151           152           153           154           155 
      1  -0.391972D+00  0.512673D+01  0.262241D+01  0.390152D+01  0.111720D+00
      2  -0.350328D+01 -0.873782D+01 -0.135314D+02 -0.113403D+02 -0.211018D+01
      3  -0.397325D+00  0.790153D+01  0.814007D+01 -0.717425D+01 -0.202296D+02
               156           157           158           159           160 
      1  -0.688176D+01  0.597116D+01  0.459308D+01 -0.526001D+01 -0.417558D+01
      2   0.183541D+02 -0.218694D+01 -0.550845D+01  0.124325D+02  0.612108D+01
      3   0.107087D+00 -0.173487D+02 -0.269874D+02  0.203839D+01  0.400510D+01
               161           162           163           164           165 
      1   0.833483D+00  0.263487D+01  0.539704D+01  0.285797D+01 -0.310906D+01
      2   0.441865D+01 -0.106112D+02 -0.101761D+02 -0.571392D+01  0.230787D+01
      3   0.610001D+01 -0.300219D+01 -0.805235D+01 -0.427976D+01  0.165575D+01
               166           167           168           169           170 
      1   0.810098D+01  0.529625D+01  0.390151D+00 -0.147701D+01  0.599409D+01
      2  -0.980512D+01  0.427108D+01  0.898457D+01 -0.198199D+01  0.461756D+01
      3  -0.122060D+01 -0.617609D+01 -0.928845D+01  0.447997D+01 -0.242021D+01
               171           172           173           174           175 
      1  -0.417529D+01 -0.801734D+01 -0.375146D+01  0.119739D+01 -0.968345D+01
      2   0.210559D+02  0.188374D+02  0.446975D+01 -0.663618D+01  0.976368D+01
      3  -0.483931D+01  0.246027D+01  0.294695D+01  0.248384D+01  0.941497D+01
               176           177           178           179           180 
      1  -0.410202D+01 -0.108371D+01  0.130753D+00  0.310141D+00 -0.141778D+01
      2   0.407436D+01 -0.477329D+01 -0.305899D+01 -0.109502D+01  0.576314D+01
      3   0.181587D+01  0.122173D+01  0.294079D+01  0.113956D+01  0.719949D+00
               181           182           183           184           185 
      1   0.338876D+00  0.328063D+01  0.386744D+01  0.262944D+01  0.868093D+00
      2  -0.548973D+01  0.160167D+01  0.608719D+01 -0.360970D+01 -0.591249D+01
      3  -0.205351D+02  0.539240D+01 -0.192525D+01 -0.195448D+02 -0.778899D+01
               186           187           188           189           190 
      1  -0.222336D+01  0.115791D+02  0.490415D+01 -0.229189D+01 -0.125119D+01
      2  -0.954361D+00 -0.403950D+01 -0.989524D+01  0.228429D+01 -0.355015D+01
      3   0.375424D+01  0.644537D+01  0.380601D+01 -0.133286D+01  0.117881D+02
               191           192           193           194           195 
      1   0.288113D+01 -0.247322D+01  0.230033D+01  0.131819D+01  0.204308D+01
      2   0.509998D+01 -0.230390D+01  0.101748D+02 -0.134070D+01 -0.875306D+00
      3   0.164400D+02 -0.386628D+01  0.374544D+02 -0.545969D+01  0.232129D+00
               196           197           198           199           200 
      1  -0.948436D+00  0.141649D+02 -0.384414D+01 -0.546963D+00 -0.303286D+01
      2  -0.469895D+00  0.174465D+01 -0.169350D+00 -0.354513D+01 -0.669872D+01
      3  -0.100465D+02  0.223673D+00  0.534573D+01 -0.363045D+02 -0.273184D+02
               201           202           203           204           205 
      1   0.113941D+01 -0.245447D+01  0.186373D+01 -0.291449D+01 -0.764628D+01
      2   0.466718D+01 -0.446656D+01  0.816942D+01  0.648990D+00 -0.148930D+02
      3   0.745734D+01  0.104300D+02  0.837269D+01 -0.545809D+01  0.360741D+01
               206           207           208           209           210 
      1   0.269436D+01  0.590180D+00  0.114941D+01 -0.247232D+01  0.318320D+01
      2   0.166569D+02 -0.640179D+01  0.180684D+01 -0.682464D+01  0.147665D+02
      3  -0.734005D+01 -0.770505D+01 -0.236623D+01 -0.394122D+02  0.601394D+01
               211           212           213           214           215 
      1   0.344535D+00 -0.175857D+01 -0.444841D+01  0.131228D+01 -0.134589D+01
      2  -0.218515D+01 -0.249932D+01 -0.413126D+01 -0.463891D+01  0.334941D+01
      3  -0.286220D+01 -0.624505D+01  0.233272D+01  0.185760D+01  0.279632D+01
               216           217           218           219           220 
      1   0.114760D+01  0.685001D+00  0.996476D+00 -0.867607D+00 -0.922989D+00
      2  -0.101636D+01  0.764846D+01  0.342057D+01 -0.750411D+00  0.431651D+01
      3  -0.405735D+01  0.355955D+02  0.303413D+01 -0.484383D+01  0.182272D+02
               221           222           223           224           225 
      1   0.238384D+01  0.588979D+01 -0.105262D+02  0.860049D+01 -0.407985D+01
      2   0.848891D+01  0.308309D+02 -0.159379D+02  0.242897D+02 -0.198982D+02
      3  -0.286324D+02 -0.993957D+01 -0.480816D+01 -0.749724D+01 -0.242624D+02
               226           227           228           229           230 
      1   0.132173D+00 -0.279614D+00 -0.150795D+01  0.691220D-01 -0.826941D+00
      2   0.205990D+01  0.168528D+01 -0.281360D+00  0.149150D+01  0.421746D+01
      3   0.765721D+01  0.547373D+01 -0.180380D+01  0.571589D+01  0.163505D+02
               231           232           233           234           235 
      1  -0.403274D+01  0.884165D+00  0.283100D+01  0.302044D+00 -0.977934D+00
      2  -0.131756D+01 -0.425708D+00 -0.104597D+01  0.124055D+00 -0.261874D+01
      3  -0.422763D+01 -0.205221D+01 -0.441990D+01  0.493824D+00 -0.597263D+01
               236           237           238           239           240 
      1   0.648403D+00  0.148203D+01 -0.321852D+00 -0.608603D+00 -0.274021D+01
      2  -0.150891D+00  0.151569D+01 -0.144571D+01  0.161976D+01 -0.318155D+01
      3  -0.396575D+01  0.990772D+00 -0.521754D+01  0.126435D+02 -0.157376D+01
               241           242           243           244           245 
      1  -0.251367D+01  0.128264D+01  0.499296D+00  0.122804D+00 -0.123869D+00
      2  -0.216478D+01 -0.221375D+00  0.114658D+01 -0.128326D+01 -0.975606D+00
      3   0.258148D+01 -0.258912D+01  0.144343D+01 -0.387452D+01 -0.372420D+01
               246           247           248           249           250 
      1  -0.149742D+01  0.187670D+00 -0.333975D+00 -0.350839D+01 -0.116691D+00
      2   0.207250D+01 -0.127576D+01 -0.389530D+01  0.439368D+01 -0.126021D+01
      3   0.839672D+00 -0.223427D+01 -0.166594D+02  0.367374D+01  0.112997D+01
               251           252           253           254           255 
      1   0.185106D+01  0.541753D+00  0.185014D+00 -0.167235D+00 -0.109661D+01
      2   0.557299D+00 -0.891988D+00 -0.569134D+01 -0.272078D+00 -0.207352D+01
      3   0.425696D+01 -0.458974D+00  0.246592D+01  0.263934D+01  0.113734D+01
               256           257           258           259           260 
      1   0.114788D+01 -0.153007D+01 -0.464489D+01  0.234284D+01 -0.116414D+01
      2   0.440577D+01 -0.133676D+02 -0.154647D+02  0.706774D+01 -0.153575D+02
      3  -0.105579D+02  0.322032D+02  0.147080D+02 -0.562988D+01  0.178807D+02
               261           262           263           264           265 
      1  -0.425992D+01  0.353520D+00 -0.270223D+00 -0.427198D+00 -0.728935D+00
      2  -0.158588D+02  0.766355D+01 -0.160728D+01  0.240365D+00 -0.523926D+01
      3   0.157034D+02 -0.182263D+00  0.993999D+00  0.602070D+00 -0.639165D+01
               266           267           268           269           270 
      1   0.962536D+00 -0.303702D+01  0.372297D+01 -0.328487D-01  0.740057D+01
      2   0.810021D+01 -0.127614D+02  0.138812D+02 -0.149963D+02  0.370962D+02
      3   0.132607D+02 -0.841013D+01  0.657349D+01 -0.128002D+02  0.149020D+02
               271           272           273           274           275 
      1  -0.984203D+00 -0.389317D+00  0.598987D+00 -0.178189D+00 -0.491808D+00
      2  -0.626075D+01 -0.694818D+00  0.954465D+01 -0.158209D+01 -0.210846D+01
      3  -0.203995D+02 -0.105863D+02  0.167524D+01 -0.111478D+02 -0.812852D+01
               276           277           278           279 
      1  -0.632599D+00  0.165399D+01  0.227150D+00 -0.311663D-02
      2   0.245775D+01  0.831728D+01 -0.811335D+00 -0.153778D+01
      3   0.248367D+01  0.216451D+01  0.319330D+01  0.787420D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.904719D+02  0.561417D+02 -0.920801D+01 -0.799324D+02 -0.166506D+01
      2   0.501300D+02 -0.366939D+02  0.599179D+01  0.449576D+02  0.280112D+01
      3   0.403419D+02 -0.194478D+02  0.321622D+01  0.349749D+02 -0.113606D+01
      4   0.557825D+02 -0.540152D+01 -0.146943D+01 -0.757252D+01 -0.320249D+01
      5  -0.182226D+02  0.390700D+00  0.156550D+01 -0.268892D+01  0.300512D+01
      6   0.708188D+00  0.181239D+01 -0.745094D-01  0.240127D+01 -0.291002D+01
                 6             7             8             9            10 
      1   0.242309D+01  0.250075D+02 -0.599474D+01 -0.107134D+02  0.992176D+02
      2  -0.372654D+01 -0.126677D+02  0.226959D+01 -0.106601D+01 -0.472098D+02
      3   0.130345D+01 -0.123398D+02  0.372515D+01  0.117794D+02 -0.520078D+02
      4   0.166198D+01 -0.175359D+01  0.109067D+01  0.894066D+00 -0.207159D+02
      5   0.184264D+00  0.165729D+01 -0.188582D+01  0.641068D+00  0.793704D+01
      6   0.107194D+01  0.144952D+01  0.274195D+01  0.254694D+01 -0.659576D+01
                11            12            13            14            15 
      1  -0.945554D+01 -0.473269D+01  0.819475D+02 -0.341596D+02  0.185011D+01
      2   0.404011D+01  0.224517D+01 -0.400029D+02  0.278197D+02 -0.521083D+01
      3   0.541544D+01  0.248751D+01 -0.419445D+02  0.633994D+01  0.336071D+01
      4   0.659689D+01 -0.195348D+01 -0.172893D+02  0.133124D+02 -0.173179D+01
      5  -0.669324D+01 -0.529530D+01  0.875758D+01 -0.247816D+01  0.768699D+00
      6   0.278977D+01  0.126254D+01 -0.242824D+01 -0.314677D+01  0.587986D+00
                16            17            18            19            20 
      1  -0.269063D+02  0.732885D+01 -0.783361D+01  0.570578D+02 -0.596483D+02
      2   0.136189D+02 -0.619538D+01 -0.686311D+00 -0.331212D+02  0.449491D+02
      3   0.132874D+02 -0.113346D+01  0.851992D+01 -0.239366D+02  0.146992D+02
      4   0.629488D+01 -0.261794D+01  0.264596D+01 -0.516213D+02  0.385293D+01
      5  -0.188860D+01  0.288629D+01  0.678563D+00  0.198400D+02 -0.843756D+00
      6   0.387606D+01  0.430514D+01  0.198644D+01 -0.119410D+01 -0.244829D+01
                21            22            23            24            25 
      1   0.109048D+02  0.463575D+01  0.338035D+02 -0.835791D+01 -0.480580D+01
      2  -0.828661D+01 -0.137979D+02 -0.343962D+02  0.868615D+01  0.651460D+01
      3  -0.261821D+01  0.916211D+01  0.592678D+00 -0.328238D+00 -0.170880D+01
      4   0.467826D+00  0.229908D+02 -0.500483D+01  0.379032D+01 -0.371726D+01
      5  -0.454855D+01 -0.975876D+01  0.584050D+01  0.590485D+01  0.393737D+01
      6   0.147266D+01  0.855436D+01  0.903692D+01  0.609844D+00  0.139453D+01
                26            27            28            29            30 
      1  -0.381276D+01 -0.675862D+01  0.187691D+01  0.623956D+01  0.123582D+01
      2   0.834383D+01 -0.806696D+01 -0.152674D+02 -0.868338D+01 -0.193570D+00
      3  -0.453107D+01  0.148256D+02  0.133905D+02  0.244382D+01 -0.104225D+01
      4   0.599497D+01  0.260047D+01  0.176562D+02  0.113146D+02  0.118634D+00
      5   0.954024D+01 -0.272695D+01 -0.174402D+02  0.287224D+01  0.939224D+01
      6   0.433015D+01  0.645329D+00  0.104131D+02 -0.105780D+00 -0.232570D+01
                31            32            33            34            35 
      1   0.251809D+02 -0.738372D+02  0.144693D+02 -0.449922D+01  0.166570D+02
      2  -0.177582D+02  0.699447D+02 -0.179712D+02  0.100938D+01 -0.172175D+02
      3  -0.742273D+01  0.389249D+01  0.350194D+01  0.348984D+01  0.560505D+00
      4  -0.410637D+02  0.211962D+01  0.306509D+01  0.222188D+02  0.139115D+01
      5   0.165355D+02  0.176645D+01 -0.130066D+01  0.322606D+02 -0.602288D+01
      6   0.214768D+01 -0.106063D+02  0.845812D+00 -0.538466D+01  0.731538D+01
                36            37            38            39            40 
      1  -0.256291D+01 -0.660829D+01  0.712671D+02 -0.171238D+02 -0.189326D+02
      2  -0.497290D+01  0.690398D+00 -0.607417D+02  0.111747D+02  0.199672D+02
      3   0.753581D+01  0.591789D+01 -0.105254D+02  0.594906D+01 -0.103462D+01
      4   0.278402D+01  0.453123D+01 -0.198921D+02  0.355421D+01  0.136215D+02
      5  -0.165654D+00 -0.403865D+00 -0.557905D+00  0.394223D+01  0.524033D+01
      6   0.530401D+01 -0.321056D+01  0.769550D+01 -0.109004D+02 -0.138094D+02
                41            42            43            44            45 
      1   0.357853D+02 -0.121201D+02  0.672187D+01 -0.171782D+02 -0.100765D+02
      2  -0.371949D+02  0.110982D+02 -0.140246D+02  0.196085D+02  0.115767D+01
      3   0.140966D+01  0.102189D+01  0.730271D+01 -0.243036D+01  0.891888D+01
      4   0.811199D+01 -0.779513D+01  0.205778D+01 -0.580605D+01 -0.987222D+01
      5  -0.875269D+01 -0.438328D+01  0.204147D+02 -0.668626D+01  0.531086D+01
      6   0.116141D+02  0.208567D+01 -0.203079D+02  0.121678D+02  0.403312D+00
                46            47            48            49            50 
      1   0.888528D+01 -0.518175D+02  0.101887D+02  0.162691D+02 -0.125834D+00
      2  -0.714405D+01  0.458795D+02 -0.586439D+01 -0.141913D+02 -0.517408D+01
      3  -0.174123D+01  0.593798D+01 -0.432435D+01 -0.207782D+01  0.529992D+01
      4   0.736748D+01 -0.473576D+01  0.171664D+01  0.857941D+00 -0.961937D+01
      5  -0.345110D+00  0.577808D+01 -0.208029D+01  0.338088D+00  0.233393D+01
      6   0.430062D+01 -0.292831D+01  0.802719D+01  0.386514D+01  0.132951D+02
                51            52            53            54            55 
      1  -0.720626D+01 -0.500719D+01 -0.344920D+01 -0.229622D+02  0.239046D+01
      2   0.906892D+01  0.761424D+01  0.140198D+02  0.103567D+02 -0.465479D+01
      3  -0.186267D+01 -0.260705D+01 -0.105706D+02  0.126055D+02  0.226432D+01
      4   0.501358D+01  0.200618D+01  0.703582D+01  0.672762D+01 -0.399296D+02
      5   0.136134D+00  0.434403D+01  0.132869D+01 -0.860848D+00  0.779924D+01
      6   0.312026D+01  0.527759D+01  0.226783D+02 -0.816187D+01  0.368419D+01
                56            57            58            59            60 
      1  -0.564878D+02  0.115570D+02  0.177908D+01  0.235235D+02 -0.112327D+02
      2   0.374693D+02 -0.462305D+01 -0.479945D+01 -0.187186D+02  0.948957D+01
      3   0.190185D+02 -0.693391D+01  0.302037D+01 -0.480491D+01  0.174312D+01
      4  -0.279990D+02  0.689223D+01  0.315161D+02 -0.171065D+02  0.120783D+00
      5   0.788159D+01 -0.114381D+02 -0.821670D+01  0.493757D+00 -0.980504D+00
      6  -0.166484D+01  0.658497D+01  0.265769D+01  0.105457D+02  0.171203D+01
                61            62            63            64            65 
      1  -0.171618D+01 -0.756222D+01 -0.204589D+02  0.254167D+01 -0.891886D+00
      2   0.367464D+01  0.147658D+02  0.424948D+01 -0.658473D+00  0.174958D+01
      3  -0.195846D+01 -0.720353D+01  0.162094D+02 -0.188320D+01 -0.857691D+00
      4  -0.552685D+01  0.275823D+01 -0.870539D+01  0.696774D+01  0.891866D+01
      5   0.689499D+00 -0.111178D+02  0.796821D+01 -0.218870D+01 -0.224568D+01
      6   0.204244D+01  0.166470D+02 -0.565517D+01 -0.139339D+01 -0.132563D+01
                66            67            68            69            70 
      1   0.267236D+00 -0.372184D+01 -0.155166D+02  0.426311D+01  0.669331D+00
      2   0.240552D+00  0.509551D+01  0.170656D+02 -0.183402D+01 -0.451383D-01
      3  -0.507787D+00 -0.137366D+01 -0.154900D+01 -0.242909D+01 -0.624193D+00
      4  -0.169784D+01  0.116386D+02  0.164333D+02 -0.355619D+01 -0.270885D+01
      5   0.264182D+01 -0.336584D+01 -0.375027D+01  0.365743D+01  0.198668D+01
      6   0.120892D+01 -0.280880D+01 -0.671971D+01  0.533105D+01  0.215389D+01
                71            72            73            74            75 
      1   0.295355D+01 -0.324984D+01  0.225482D+01  0.549623D+01 -0.106367D+01
      2  -0.261857D+01  0.248958D+01  0.963655D+01 -0.157110D+02  0.182823D+01
      3  -0.334973D+00  0.760265D+00 -0.118914D+02  0.102148D+02 -0.764562D+00
      4  -0.417665D+01  0.227268D+01 -0.277864D+02  0.244482D+02 -0.372196D+01
      5   0.625235D+00 -0.155412D+01  0.403921D+01 -0.383081D+01  0.402913D+01
      6   0.307816D+01 -0.256247D+01 -0.262214D+01  0.307024D+01 -0.369162D+01
                76            77            78            79            80 
      1   0.982743D+01 -0.213172D+02  0.371811D+01 -0.255761D+01  0.430780D+01
      2  -0.215886D+02  0.376910D+02 -0.460825D+01  0.541650D+01 -0.656037D+01
      3   0.117612D+02 -0.163737D+02  0.890133D+00 -0.285889D+01  0.225257D+01
      4   0.274375D+02 -0.341269D+02  0.546161D+01 -0.505074D+01  0.590747D+01
      5  -0.523083D+01  0.556691D+01 -0.436842D+01  0.555079D+00 -0.277798D+01
      6   0.590337D+01 -0.695346D+01  0.689414D+01  0.813263D+00  0.367821D+01
                81            82            83            84            85 
      1  -0.110809D+01 -0.628816D+01 -0.110215D+02  0.313490D+01 -0.804289D+01
      2   0.211579D+01  0.935881D+01  0.162034D+02 -0.319935D+01  0.109556D+02
      3  -0.100770D+01 -0.307065D+01 -0.518185D+01  0.644488D-01 -0.291271D+01
      4  -0.284419D+01  0.839304D+01  0.162736D+02 -0.360898D+01  0.962495D+01
      5   0.167600D+01 -0.138618D+01 -0.240582D+01  0.274688D+01 -0.165189D+01
      6  -0.247464D+01 -0.302668D+01 -0.479379D+01  0.362415D+01 -0.321225D+01
                86            87            88            89            90 
      1  -0.480306D+02  0.117379D+02  0.228947D+01  0.120733D+02 -0.413518D+01
      2   0.657043D+02 -0.126264D+02 -0.331584D+01 -0.150510D+02  0.439145D+01
      3  -0.176737D+02  0.888476D+00  0.102637D+01  0.297766D+01 -0.256267D+00
      4   0.217344D+02 -0.460062D+01 -0.306783D+01 -0.501726D+01  0.266894D+01
      5  -0.227667D+01  0.198267D+01  0.903451D+00  0.236170D+01 -0.140778D+01
      6  -0.168289D+02  0.112799D+02  0.405707D+00  0.663137D+01 -0.418860D+01
                91            92            93            94            95 
      1  -0.329266D-01  0.507669D+01 -0.131903D+02  0.160117D+00 -0.717103D+01
      2   0.422216D+01 -0.736695D-01  0.972059D+00  0.607204D+01 -0.359739D+01
      3  -0.418924D+01 -0.500302D+01  0.122182D+02 -0.623215D+01  0.107684D+02
      4  -0.435682D+01 -0.174537D+02 -0.276534D+01 -0.201774D+02  0.294257D+02
      5   0.383454D-01 -0.433351D+01 -0.183648D+02  0.366232D+00 -0.163353D+02
      6  -0.361816D+01  0.601021D+00  0.781388D+00 -0.409341D+01  0.381773D+01
                96            97            98            99           100 
      1  -0.182327D+01  0.907609D-01 -0.268306D+01 -0.179264D+02 -0.719261D+02
      2   0.186702D+01 -0.144159D+02  0.739261D+01  0.172304D+02  0.416999D+02
      3  -0.437461D-01  0.143251D+02 -0.470955D+01  0.696012D+00  0.302262D+02
      4  -0.188048D+02 -0.587177D+01 -0.204088D+02 -0.347759D+01  0.240001D+01
      5  -0.356403D+01 -0.574990D+02  0.301770D+01  0.178317D+02  0.389176D+02
      6   0.304082D+01  0.243156D+01 -0.140805D+01 -0.160558D+01  0.239774D+00
               101           102           103           104           105 
      1  -0.125871D+01  0.278250D+02 -0.830341D+01  0.322956D+02  0.603985D+01
      2   0.283987D+00 -0.818976D+01  0.192379D+01 -0.698942D+01 -0.181279D+01
      3   0.974719D+00 -0.196352D+02  0.637962D+01 -0.253062D+02 -0.422706D+01
      4   0.198158D+02  0.852376D+00  0.186337D+02 -0.327235D+01  0.243326D+02
      5   0.252355D+01  0.861431D+01  0.419155D+01  0.158090D+02  0.399610D+01
      6  -0.119396D+02 -0.134252D+01 -0.668771D+01 -0.206014D+01 -0.197964D+02
               106           107           108           109           110 
      1   0.588834D+01  0.470230D+01  0.166227D+02 -0.618868D+02 -0.235541D+02
      2   0.141276D+02 -0.391489D+01 -0.215846D+02  0.209846D+02  0.157502D+01
      3  -0.200160D+02 -0.787413D+00  0.496195D+01  0.409022D+02  0.219791D+02
      4  -0.302064D+00  0.207913D+02  0.155515D+01 -0.432867D+02 -0.271613D+02
      5   0.367688D+02 -0.916401D+00 -0.295371D+02  0.100143D+02  0.718008D+00
      6  -0.248902D+01 -0.143518D+02 -0.383687D+01  0.896831D+00  0.384597D+01
               111           112           113           114           115 
      1   0.566008D+01 -0.340714D+02 -0.156845D+02  0.108887D+02  0.330681D+02
      2  -0.405417D+01  0.762063D+01  0.209661D+01 -0.277673D+00 -0.118857D+02
      3  -0.160591D+01  0.264507D+02  0.135879D+02 -0.106110D+02 -0.211824D+02
      4   0.379667D+01 -0.169849D+02 -0.265184D+02  0.119241D+02  0.196176D+02
      5  -0.180078D+01  0.126183D+01  0.872076D+01 -0.723358D+01  0.172453D+02
      6  -0.440993D+01  0.449384D+01 -0.181302D+01 -0.140382D+01  0.297863D+01
               116           117           118           119           120 
      1   0.852050D+01  0.192250D+02  0.139630D+02 -0.115926D+02  0.631619D+01
      2  -0.809439D+00 -0.104996D+01 -0.142065D+01  0.213241D+01 -0.162936D+01
      3  -0.771106D+01 -0.181750D+02 -0.125424D+02  0.946020D+01 -0.468683D+01
      4   0.192266D+02  0.415341D+01 -0.233010D+02  0.223498D+02 -0.210028D+01
      5   0.202693D+01  0.116681D+01  0.804119D+01 -0.163998D+01  0.109637D+02
      6  -0.156067D+01 -0.226486D+01 -0.211429D+01  0.124259D+01 -0.115168D+01
               121           122           123           124           125 
      1  -0.192757D+02  0.349359D+01 -0.112094D+01  0.871194D+01  0.342670D+00
      2   0.524012D+01  0.117686D+02 -0.258473D+01 -0.327710D+01 -0.352473D+01
      3   0.140356D+02 -0.152622D+02  0.370567D+01 -0.543484D+01  0.318206D+01
      4   0.225832D+02 -0.431826D+02  0.992919D+01 -0.404104D+01  0.139201D+02
      5  -0.271201D+01  0.905084D+01 -0.108059D+02  0.131773D+02 -0.882995D+01
      6   0.114291D+01 -0.348854D+01  0.422039D+01 -0.252158D+01  0.587413D+01
               126           127           128           129           130 
      1   0.416759D+01 -0.213045D+01  0.778625D+01 -0.108308D+02  0.110289D+02
      2  -0.189235D+01  0.698413D+00 -0.309786D+01 -0.181164D+00 -0.690673D+01
      3  -0.227523D+01  0.143204D+01 -0.468839D+01  0.110120D+02 -0.412222D+01
      4  -0.951878D+01  0.365810D+01 -0.623840D+01  0.254252D+01 -0.100589D+00
      5   0.584974D+01 -0.301269D+00 -0.267862D+00 -0.605640D+01 -0.838836D+01
      6  -0.306726D+01 -0.353637D+01  0.583007D+01 -0.292050D+01  0.135112D+01
               131           132           133           134           135 
      1  -0.166122D+02  0.109490D+02 -0.506489D+01  0.655661D+01 -0.140466D+02
      2   0.553043D+01  0.348688D+01  0.126458D+01  0.171412D+01 -0.178849D+01
      3   0.110817D+02 -0.144359D+02  0.380031D+01 -0.827073D+01  0.158351D+02
      4   0.221251D+02 -0.144159D+02 -0.301813D+00 -0.105022D+02  0.864236D+01
      5  -0.102820D+02  0.162142D+02  0.168432D+01  0.652977D+01 -0.102954D+02
      6  -0.164559D+02  0.131931D+02 -0.143633D+00  0.106336D+02 -0.801873D+01
               136           137           138           139           140 
      1   0.108566D+03 -0.114589D+01 -0.197512D+02  0.310963D+01  0.570309D+01
      2  -0.654626D+02  0.460541D+00  0.187057D+02 -0.274682D+01 -0.403522D+01
      3  -0.431035D+02  0.685354D+00  0.104543D+01 -0.362805D+00 -0.166787D+01
      4  -0.579642D+01  0.112819D+02  0.243824D+01  0.131189D+02  0.510172D+00
      5  -0.628929D+02  0.179360D+01  0.301435D+02 -0.247382D+01 -0.628932D+01
      6   0.265643D+01 -0.398927D+01 -0.160445D+01 -0.405454D+01 -0.176423D+00
               141           142           143           144           145 
      1  -0.904488D+00 -0.860579D+01 -0.117018D+01  0.880158D+01 -0.117892D+00
      2   0.140534D+01  0.916492D+01  0.512603D+00 -0.716947D+01 -0.693554D+00
      3  -0.500854D+00 -0.559126D+00  0.657573D+00 -0.163211D+01  0.811446D+00
      4  -0.504593D+01 -0.603746D+00 -0.339507D+01  0.523535D+00 -0.327787D+01
      5   0.210829D+01  0.177678D+02  0.120290D+01 -0.758041D+01 -0.318252D+01
      6   0.399192D+01 -0.191343D+00  0.275401D+01  0.446559D+00  0.387171D+01
               146           147           148           149           150 
      1  -0.913659D+01 -0.128484D+02 -0.855778D+01 -0.201682D+02 -0.155968D+02
      2   0.378557D+01  0.169803D+01  0.599995D+01  0.953709D+01 -0.360206D+00
      3   0.535102D+01  0.111504D+02  0.255783D+01  0.106311D+02  0.159570D+02
      4  -0.478109D+01 -0.257062D+01  0.336531D+01 -0.255006D+02 -0.201391D+02
      5  -0.258270D+00 -0.454174D+01  0.874970D+01 -0.159405D+02 -0.213424D+02
      6   0.645981D+01  0.488761D+01 -0.376835D+00  0.217197D+02  0.197462D+02
               151           152           153           154           155 
      1  -0.532062D+01 -0.112598D+02 -0.198366D+02  0.144094D+03  0.373120D+02
      2   0.253994D+01 -0.905216D-01 -0.225012D+01 -0.602853D+02 -0.853594D+01
      3   0.278068D+01  0.113503D+02  0.220867D+02 -0.838090D+02 -0.287761D+02
      4   0.269457D+01 -0.146047D+02 -0.144741D+02  0.692766D+02  0.472591D+02
      5   0.409966D+01 -0.126661D+02 -0.193794D+02  0.128714D+01  0.302187D+01
      6  -0.414705D+00  0.151995D+02  0.159200D+02 -0.180301D+01 -0.645707D+00
               156           157           158           159           160 
      1  -0.102908D+02  0.486500D+02  0.306156D+02 -0.526363D+01 -0.133319D+02
      2   0.181657D+01 -0.745225D+01  0.545678D+01 -0.154210D+01  0.281248D+01
      3   0.847420D+01 -0.411977D+02 -0.360724D+02  0.680572D+01  0.105194D+02
      4  -0.125889D+01  0.663776D+02  0.619043D+02 -0.865752D+01 -0.950978D+01
      5   0.290833D+02 -0.192982D+01 -0.378403D+01  0.174789D+02  0.286374D+02
      6   0.746482D+01  0.666104D+00  0.697630D+00  0.870287D+01  0.859173D+01
               161           162           163           164           165 
      1  -0.416695D+01  0.160376D+02  0.344288D+02  0.146788D+02  0.956393D+01
      2  -0.201545D+01 -0.820608D+01 -0.204039D+02 -0.471194D+01 -0.768199D+01
      3   0.618240D+01 -0.783148D+01 -0.140249D+02 -0.996684D+01 -0.188194D+01
      4  -0.133465D+02  0.141805D+02  0.275736D+02  0.142200D+02  0.243130D+01
      5   0.124947D+02 -0.131297D+02  0.208979D+02  0.350277D+01  0.162887D+02
      6   0.732501D+01 -0.263781D+01  0.107849D+02  0.179062D+01  0.806051D+00
               166           167           168           169           170 
      1   0.195829D+02 -0.413522D+01 -0.109492D+02 -0.682952D+01 -0.827366D+01
      2  -0.908836D+01  0.394541D+01  0.275648D+01 -0.187380D+01  0.187725D+01
      3  -0.104945D+02  0.189809D+00  0.819268D+01  0.870332D+01  0.639642D+01
      4   0.176988D+02  0.108208D+02  0.110973D+02 -0.375717D+01  0.201999D+01
      5   0.114125D+02  0.128744D+02  0.131307D+02  0.158228D+02  0.643181D+01
      6   0.389377D+01  0.904025D+01  0.129945D+02  0.108119D+01  0.106069D+02
               171           172           173           174           175 
      1  -0.259356D+02 -0.370377D+02 -0.896620D+01  0.951326D+01 -0.210624D+02
      2  -0.141505D+02  0.182134D+02  0.306779D+01  0.250306D+01  0.120475D+02
      3   0.400862D+02  0.188243D+02  0.589841D+01 -0.120163D+02  0.901491D+01
      4   0.447731D+01 -0.245745D+02 -0.107126D+02 -0.177258D+01 -0.171577D+02
      5   0.427388D+02 -0.157049D+02 -0.515176D+01 -0.123567D+02 -0.117532D+02
      6   0.124851D+02 -0.813777D+01 -0.482867D+01 -0.359811D+01 -0.565650D+01
               176           177           178           179           180 
      1  -0.102767D+02  0.315812D+01 -0.991442D+00  0.574844D+00 -0.107921D+02
      2   0.493217D+01  0.325710D+01  0.635937D+01  0.778515D+00  0.227154D+01
      3   0.534458D+01 -0.641522D+01 -0.536793D+01 -0.135336D+01  0.852051D+01
      4  -0.689055D+01  0.387488D+00 -0.725453D+01 -0.664561D+00 -0.521171D+01
      5  -0.773357D+00 -0.984358D+01 -0.822162D+01 -0.218888D+01  0.179759D+01
      6  -0.306045D+01  0.780253D+00 -0.353813D+01  0.129314D+01 -0.184210D+01
               181           182           183           184           185 
      1  -0.261464D+01  0.611419D+02 -0.137273D+02 -0.768749D+02  0.346672D+02
      2   0.804226D+00 -0.410736D+02  0.534791D+01  0.487847D+02 -0.263290D+02
      3   0.181041D+01 -0.200683D+02  0.837941D+01  0.280901D+02 -0.833815D+01
      4   0.345908D+02  0.338405D+02 -0.895066D+01  0.348061D+02  0.226631D+02
      5  -0.443245D+01 -0.109232D+02  0.159004D+02 -0.118877D+00 -0.132722D+02
      6  -0.302684D+01  0.582062D+01 -0.860504D+01 -0.103712D+02  0.882236D+01
               186           187           188           189           190 
      1  -0.434819D+01  0.213016D+02 -0.139674D+02  0.294862D+01  0.136901D+03
      2   0.425698D+01 -0.220543D+02  0.137445D+02 -0.838720D+01 -0.762825D+02
      3   0.912154D-01  0.752725D+00  0.222875D+00  0.543857D+01 -0.606181D+02
      4  -0.134473D+02 -0.660608D+01 -0.155740D+02 -0.130448D+02 -0.200923D+02
      5  -0.306465D+01  0.284392D+02 -0.139511D+02  0.871040D+01  0.752936D+01
      6   0.313666D+01 -0.143095D+02  0.898100D+01  0.120142D+01  0.152982D+01
               191           192           193           194           195 
      1  -0.406442D+02  0.282969D+01  0.351605D+01 -0.280311D+02  0.128629D+02
      2   0.260587D+02 -0.211044D+01 -0.648649D+01  0.269152D+02 -0.130153D+02
      3   0.145855D+02 -0.719247D+00  0.297044D+01  0.111589D+01  0.152378D+00
      4   0.288780D+02 -0.603017D+01 -0.264694D+02 -0.600933D+02  0.151549D+02
      5  -0.716283D+01  0.918304D+00  0.167674D+02  0.150276D+02 -0.503778D+01
      6  -0.139437D+00  0.366725D+01  0.602932D+01 -0.882152D+01  0.283933D+00
               196           197           198           199           200 
      1  -0.308261D+01  0.148823D+02  0.228469D+02 -0.112539D+03  0.160440D+02
      2   0.340704D+01 -0.123602D+02 -0.201642D+02  0.545912D+02 -0.661219D+01
      3  -0.324429D+00 -0.252217D+01 -0.268267D+01  0.579480D+02 -0.943182D+01
      4   0.196704D+02  0.954079D+01 -0.693110D+01  0.191543D+02 -0.341000D+02
      5   0.456081D+02 -0.132420D+02  0.184407D+01 -0.488477D+01  0.141973D+02
      6  -0.144684D+01  0.570537D+01  0.374600D+01  0.665851D+01 -0.163153D+01
               201           202           203           204           205 
      1   0.222707D+01  0.907139D+02 -0.145542D+02 -0.531150D+01 -0.152392D+02
      2  -0.144743D+01 -0.561745D+02  0.448487D+00  0.569197D+01  0.125031D+02
      3  -0.779642D+00 -0.345394D+02  0.141057D+02 -0.380465D+00  0.273602D+01
      4   0.102417D+02 -0.111948D+02  0.283227D+02  0.229433D+01  0.462673D+01
      5   0.128211D+01  0.291350D+01  0.150771D+01  0.549977D+01  0.476475D+01
      6  -0.346683D-02  0.512049D+01  0.106081D+02  0.202860D+01  0.309419D+01
               206           207           208           209           210 
      1   0.956021D+00 -0.153409D+02  0.125247D+01  0.327341D+02 -0.490613D+01
      2   0.743915D+01 -0.427766D+00 -0.281329D+01 -0.204550D+02  0.236881D+01
      3  -0.839517D+01  0.157686D+02  0.156082D+01 -0.122791D+02  0.253733D+01
      4   0.934953D+01  0.239500D+02  0.254410D+02  0.454422D+01  0.395584D+01
      5   0.250706D+02 -0.128682D+02 -0.651115D+01  0.453757D+01  0.255638D+02
      6   0.128674D+02 -0.171779D+01  0.110468D+01 -0.766260D+00 -0.516065D+01
               211           212           213           214           215 
      1   0.989123D+01  0.970543D+01 -0.352363D+01 -0.109101D+01 -0.370365D+01
      2  -0.261829D+01 -0.323477D+01  0.461665D+01  0.188642D+01  0.333566D+01
      3  -0.727294D+01 -0.647065D+01 -0.109301D+01 -0.795409D+00  0.367985D+00
      4   0.322566D+02  0.134788D+02 -0.511269D+01 -0.646275D+01 -0.350381D+00
      5  -0.694645D+01 -0.416686D+01 -0.748283D+01  0.122092D+02  0.537739D+01
      6  -0.118298D+01  0.169974D+01  0.716927D+01  0.244786D+01  0.283267D+01
               216           217           218           219           220 
      1   0.244386D+01 -0.693094D+02 -0.424841D+02  0.146296D+02 -0.552095D+02
      2  -0.296424D+01  0.419187D+02  0.213247D+02 -0.757300D+01  0.282427D+02
      3   0.520372D+00  0.273907D+02  0.211594D+02 -0.705657D+01  0.269668D+02
      4   0.715296D+01 -0.396779D+02  0.128892D+02  0.158792D+01 -0.148522D+02
      5  -0.329209D+01  0.140064D+02  0.186006D+01 -0.500103D+01  0.709251D+01
      6  -0.221392D+01 -0.160750D+01 -0.883118D+00  0.162422D+01  0.194864D+01
               221           222           223           224           225 
      1   0.983281D+01  0.101612D+02  0.162590D+02  0.782279D+01  0.199306D+01
      2  -0.931713D+01 -0.120401D+02 -0.430327D+01 -0.978863D+01 -0.159596D+01
      3  -0.515678D+00  0.187890D+01 -0.119558D+02  0.196584D+01 -0.397106D+00
      4   0.287386D+02  0.202875D+02  0.567829D+01  0.142867D+02  0.390074D+02
      5   0.205490D+02  0.597989D+02 -0.231210D+02  0.426939D+02 -0.373161D+02
      6  -0.813917D+01 -0.172504D+02  0.103143D+02 -0.136112D+02  0.740101D+01
               226           227           228           229           230 
      1  -0.718219D+01 -0.154302D+02  0.438104D+01 -0.750296D+01 -0.433543D+02
      2   0.689120D+01  0.144213D+02 -0.289848D+01  0.708414D+01  0.490751D+02
      3   0.290990D+00  0.100891D+01 -0.148256D+01  0.418818D+00 -0.572082D+01
      4   0.260839D+00  0.511670D+01 -0.808976D+00  0.273921D+01 -0.949702D+01
      5   0.231361D+00 -0.551534D+00  0.991694D+00 -0.112588D+00  0.377672D+01
      6  -0.222285D+01 -0.409472D+01  0.284795D+01 -0.195086D+01 -0.145235D+02
               231           232           233           234           235 
      1   0.109041D+02  0.227023D+01  0.111107D+02 -0.393878D+01  0.406044D+02
      2  -0.894930D+01 -0.206550D+01 -0.112043D+02  0.342331D+01 -0.154611D+02
      3  -0.195476D+01 -0.204735D+00  0.936697D-01  0.515476D+00 -0.251432D+02
      4   0.263559D+01 -0.149946D+00  0.257386D+01  0.103267D+01 -0.304398D+02
      5  -0.254584D+01  0.154460D+01 -0.126750D+00 -0.111040D+00  0.543006D+01
      6   0.935427D+01  0.461091D+00  0.546861D+01 -0.347379D+01 -0.166721D+01
               236           237           238           239           240 
      1  -0.121014D+02  0.665076D+00 -0.123320D+02  0.440545D+01 -0.118515D+01
      2  -0.438089D+00  0.242202D+00 -0.501594D+01  0.146943D+02 -0.608225D+00
      3   0.125395D+02 -0.907278D+00  0.173479D+02 -0.190998D+02  0.179338D+01
      4   0.246246D+02 -0.364128D+01  0.364949D+02 -0.420868D+02  0.667651D+01
      5  -0.474251D+01  0.367128D+01 -0.898103D+01  0.855826D+01 -0.652717D+01
      6   0.235055D+01 -0.211565D+01  0.555557D+01 -0.632678D+01  0.535820D+01
               241           242           243           244           245 
      1   0.469393D-01 -0.793761D+00 -0.150582D+01  0.485916D+01  0.818523D+01
      2   0.303748D+01 -0.247166D+01  0.145182D+01  0.239168D+01  0.892278D+00
      3  -0.308442D+01  0.326542D+01  0.539995D-01 -0.725084D+01 -0.907751D+01
      4  -0.725527D+01  0.794756D+01 -0.271396D+01  0.238698D+02  0.225717D+02
      5  -0.363200D+00 -0.247069D+01  0.194143D+01 -0.559799D+01 -0.483613D+01
      6  -0.378150D-01  0.251742D+01 -0.175462D+01 -0.283097D+01 -0.270904D+01
               246           247           248           249           250 
      1  -0.196766D+01  0.620004D+01 -0.873381D+01  0.211530D+01 -0.165224D+01
      2   0.655267D+00  0.591370D+01  0.232820D+02 -0.299304D+01 -0.275966D+00
      3   0.131239D+01 -0.121137D+02 -0.145482D+02  0.877742D+00  0.192820D+01
      4  -0.585001D+01  0.297064D+02  0.490779D+02 -0.114675D+02 -0.777783D+01
      5   0.501720D+01 -0.635603D+01 -0.974354D+01  0.853437D+01  0.416507D+01
      6   0.270506D+01 -0.441923D+01 -0.858308D+01  0.746007D+01  0.348878D+01
               251           252           253           254           255 
      1   0.141104D+01 -0.103283D+01  0.176531D+01 -0.583101D+01 -0.109558D+02
      2  -0.419999D+01  0.211792D+01 -0.213960D+00  0.336498D+01  0.536319D+01
      3   0.278895D+01 -0.108509D+01 -0.155135D+01  0.246603D+01  0.559262D+01
      4  -0.124485D+02  0.457633D+01 -0.301994D+01 -0.739631D+00  0.208567D+01
      5   0.273071D+01 -0.288131D+01 -0.976188D+01  0.124930D+01 -0.295321D+01
      6   0.390499D+01 -0.341967D+01  0.265894D+01  0.822787D+00  0.189753D+01
               256           257           258           259           260 
      1  -0.198938D+02  0.204315D+01 -0.421633D+00 -0.293335D+02  0.225186D+01
      2   0.559834D+01  0.112636D+02  0.478166D+01  0.131675D+02  0.308900D+01
      3   0.142955D+02 -0.133067D+02 -0.436003D+01  0.161660D+02 -0.534086D+01
      4   0.324667D+02 -0.538564D+02 -0.278108D+02  0.202653D+02 -0.308198D+02
      5   0.141223D+02 -0.285717D+02 -0.304034D+02  0.219693D+02 -0.293442D+02
      6  -0.685493D+01  0.134782D+02  0.122527D+02 -0.806922D+01  0.128943D+02
               261           262           263           264           265 
      1  -0.369441D+00  0.980280D+01 -0.147440D+01  0.126394D+02 -0.558108D+01
      2  -0.961205D+00 -0.643928D+01  0.103720D+01 -0.557345D+01  0.185679D+01
      3   0.133065D+01 -0.336352D+01  0.437204D+00 -0.706593D+01  0.372430D+01
      4  -0.272288D+02 -0.932909D+00 -0.838368D+00 -0.510336D+01  0.177937D+02
      5  -0.308973D+02  0.135881D+02 -0.433417D+01  0.351222D+01 -0.136254D+02
      6   0.117664D+02 -0.304671D+01  0.823308D+00  0.247837D+00  0.411612D+01
               266           267           268           269           270 
      1   0.286362D+01 -0.460456D+01  0.421401D+02 -0.871316D+01  0.848001D+01
      2   0.923352D+00  0.181126D+01 -0.256962D+02  0.459245D+01 -0.139654D+02
      3  -0.378697D+01  0.279330D+01 -0.164439D+02  0.412071D+01  0.548542D+01
      4  -0.203509D+02  0.151839D+02 -0.224048D+02  0.212101D+02 -0.248579D+02
      5   0.159115D+02 -0.254392D+02  0.410498D+02 -0.281357D+02  0.718384D+02
      6  -0.558321D+01  0.101083D+02 -0.950621D+01  0.106657D+02 -0.161074D+02
               271           272           273           274           275 
      1   0.190496D+03  0.180062D+02 -0.134659D+02  0.582182D+02  0.183428D+02
      2  -0.101105D+03 -0.104510D+02  0.761473D+01 -0.315647D+02 -0.932333D+01
      3  -0.893909D+02 -0.755520D+01  0.585117D+01 -0.266534D+02 -0.901945D+01
      4   0.147620D+02  0.156961D+02 -0.679796D+00  0.217434D+02  0.144059D+02
      5  -0.142336D+02 -0.849583D+00  0.184058D+02 -0.343848D+01 -0.437577D+01
      6   0.214661D+01 -0.612458D-01 -0.120596D+01  0.166787D+00  0.519493D+00
               276           277           278           279 
      1  -0.403633D+01 -0.231683D+02 -0.218888D+01  0.168593D+02
      2   0.281739D+01  0.130441D+02  0.207387D+01 -0.100640D+02
      3   0.121894D+01  0.101242D+02  0.115012D+00 -0.679528D+01
      4  -0.432423D+01 -0.100683D+01 -0.531254D+01 -0.964816D+00
      5   0.492783D+01  0.240006D+02 -0.108016D+01 -0.388294D+01
      6   0.132728D+01 -0.106585D+01  0.227357D+01 -0.151382D+00
 Leave Link  716 at Fri Aug 13 12:26:29 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.294609D+03 -0.171241D+02 -0.789277D+01
      2  -0.171241D+02  0.174439D+03 -0.113019D+02
      3  -0.789277D+01 -0.113019D+02  0.120237D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.596941D+01  0.198626D+02 -0.257822D+01
      2  -0.100304D+01 -0.157469D+02 -0.273143D+02
      3   0.128761D+03 -0.545700D+02  0.194459D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.361919D+03 -0.182483D+03  0.176318D+02
      2  -0.178476D+03  0.143417D+03 -0.489136D+02
      3  -0.183443D+03  0.390669D+02  0.312818D+02
      4  -0.108606D+03  0.984897D+02 -0.436701D+02
      5   0.771698D+02 -0.529657D+02 -0.544506D+02
      6  -0.181792D+02  0.148510D+02 -0.450339D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.406370D+02  0.125290D+02 -0.922851D+00 -0.384928D+02  0.772395D+01
      2   0.125290D+02 -0.778786D+01  0.114128D+01  0.772395D+01 -0.594372D+01
      3  -0.922851D+00  0.114128D+01  0.323496D-01  0.893231D-01  0.803392D+00
                 6             7             8             9            10 
      1   0.893231D-01  0.121468D+02 -0.304919D+01 -0.104498D+01  0.379611D+02
      2   0.803392D+00 -0.304919D+01  0.158063D+01 -0.936242D+00 -0.123410D+02
      3  -0.199823D+00 -0.104498D+01 -0.936242D+00  0.656636D+00  0.844540D+00
                11            12            13            14            15 
      1  -0.123410D+02  0.844540D+00  0.416981D+02 -0.878809D+01  0.306485D-01
      2   0.408902D+01 -0.216097D+00 -0.878809D+01  0.814437D+01 -0.125885D+01
      3  -0.216097D+00  0.737537D-01  0.306485D-01 -0.125885D+01  0.234215D+00
                16            17            18            19            20 
      1  -0.124671D+02  0.321298D+01  0.846140D+00  0.408504D+02 -0.122148D+02
      2   0.321298D+01 -0.186697D+01  0.103297D+01 -0.122148D+02  0.113033D+02
      3   0.846140D+00  0.103297D+01 -0.500425D+00  0.105378D+01 -0.214673D+01
                21            22            23            24            25 
      1   0.105378D+01 -0.211245D+02  0.369492D+01 -0.378769D+00  0.367678D+01
      2  -0.214673D+01  0.369492D+01 -0.810186D+01  0.433521D+00 -0.662714D+00
      3   0.603273D+00 -0.378769D+00  0.433521D+00 -0.163292D+01 -0.461917D+00
                26            27            28            29            30 
      1  -0.662714D+00 -0.461917D+00 -0.466373D+02  0.651488D+01  0.162276D+00
      2  -0.323578D+00 -0.325002D+01  0.651488D+01 -0.462392D+01  0.980694D-01
      3  -0.325002D+01  0.217081D+01  0.162276D+00  0.980694D-01 -0.207449D+01
                31            32            33            34            35 
      1   0.841377D+01 -0.279642D+01 -0.120531D+01 -0.533618D+01 -0.948745D+00
      2  -0.279642D+01  0.172288D+02 -0.376113D+01 -0.948745D+00 -0.309639D+01
      3  -0.120531D+01 -0.376113D+01  0.851172D+00 -0.667915D+01  0.178595D+01
                36            37            38            39            40 
      1  -0.667915D+01 -0.367715D+01 -0.255679D+01  0.707826D+00  0.102253D+02
      2   0.178595D+01 -0.255679D+01 -0.137748D+02  0.317835D+01 -0.231084D+01
      3   0.148480D-01  0.707826D+00  0.317835D+01 -0.240237D+01 -0.840283D+00
                41            42            43            44            45 
      1  -0.231084D+01 -0.840283D+00 -0.263879D+01 -0.550445D+00 -0.526708D+01
      2  -0.664171D+01  0.277861D+01 -0.550445D+00  0.372298D+01  0.199316D+01
      3   0.277861D+01  0.700116D+00 -0.526708D+01  0.199316D+01 -0.920195D+00
                46            47            48            49            50 
      1   0.101271D+02  0.197448D+01 -0.856955D+00 -0.190093D-01 -0.315283D+01
      2   0.197448D+01  0.968834D+01 -0.174757D+01 -0.315283D+01  0.100829D+01
      3  -0.856955D+00 -0.174757D+01  0.181279D+01  0.116701D+01  0.138743D+01
                51            52            53            54            55 
      1   0.116701D+01 -0.252950D+00  0.109421D+01  0.108286D+01 -0.549002D+01
      2   0.138743D+01  0.109421D+01  0.136820D+01  0.401070D+01 -0.322600D+01
      3   0.678750D+00  0.108286D+01  0.401070D+01 -0.247324D+01  0.100943D+01
                56            57            58            59            60 
      1  -0.322600D+01  0.100943D+01 -0.634807D+00  0.362436D+01 -0.121043D+01
      2  -0.515811D+01  0.826584D+00  0.362436D+01 -0.302733D+01 -0.753433D+00
      3   0.826584D+00 -0.180521D+01 -0.121043D+01 -0.753433D+00 -0.686884D+00
                61            62            63            64            65 
      1   0.229663D+00 -0.118213D+01 -0.598085D+00 -0.175195D+01 -0.219330D+01
      2  -0.118213D+01 -0.832988D+00 -0.369102D+01 -0.219330D+01 -0.112487D+01
      3  -0.598085D+00 -0.369102D+01  0.242295D+01  0.595714D+00  0.304038D+00
                66            67            68            69            70 
      1   0.595714D+00 -0.288696D+01 -0.265653D+01  0.787622D+00  0.826727D+00
      2   0.304038D+00 -0.265653D+01 -0.522436D+01  0.128069D+01  0.773227D+00
      3  -0.400746D+00  0.787622D+00  0.128069D+01 -0.113421D+01 -0.334530D+00
                71            72            73            74            75 
      1   0.773227D+00 -0.334530D+00 -0.550346D+01  0.343056D+01 -0.460538D+00
      2   0.129318D+01 -0.388376D+00  0.343056D+01 -0.355944D+01  0.567069D+00
      3  -0.388376D+00  0.356067D+00 -0.460538D+00  0.567069D+00 -0.510042D+00
                76            77            78            79            80 
      1   0.389242D+01 -0.458754D+01  0.976901D+00 -0.543177D+00  0.102089D+01
      2  -0.458754D+01  0.648910D+01 -0.101049D+01  0.102089D+01 -0.120082D+01
      3   0.976901D+00 -0.101049D+01  0.888861D+00  0.306163D+00  0.420512D+00
                81            82            83            84            85 
      1   0.306163D+00  0.126047D+01  0.182656D+01 -0.503065D+00  0.804073D+00
      2   0.420512D+00  0.182656D+01  0.273275D+01 -0.700113D+00  0.185835D+01
      3  -0.324162D+00 -0.503065D+00 -0.700113D+00  0.464857D+00 -0.440772D+00
                86            87            88            89            90 
      1   0.185835D+01 -0.440772D+00 -0.284399D+00 -0.498415D+00  0.116168D+00
      2   0.960129D+01 -0.220589D+01 -0.498415D+00 -0.247542D+01  0.615551D+00
      3  -0.220589D+01  0.141622D+01  0.116168D+00  0.615551D+00 -0.403650D+00
                91            92            93            94            95 
      1   0.136244D+02 -0.184978D+01  0.332996D+00  0.430799D+01  0.123973D+01
      2  -0.184978D+01  0.168966D+01  0.731311D+00  0.123973D+01 -0.251965D+01
      3   0.332996D+00  0.731311D+00  0.262126D+01  0.660363D+00  0.218795D+01
                96            97            98            99           100 
      1   0.660363D+00 -0.335830D+01  0.143448D+01  0.740931D+01  0.840326D+01
      2   0.218795D+01  0.143448D+01  0.191500D+01 -0.167843D+00  0.321472D+00
      3   0.916283D+00  0.740931D+01 -0.167843D+00 -0.195769D+01 -0.190543D+01
               101           102           103           104           105 
      1   0.321472D+00 -0.190543D+01 -0.446892D+00 -0.187872D+01 -0.191466D+00
      2  -0.180196D+01 -0.356975D+00 -0.187872D+01 -0.940790D-02 -0.355624D+01
      3  -0.356975D+00 -0.209453D+01 -0.191466D+00 -0.355624D+01 -0.794827D+00
               106           107           108           109           110 
      1   0.552234D+01 -0.749926D+00 -0.499507D+01  0.558304D+01  0.364781D+01
      2  -0.749926D+00 -0.252733D+01 -0.153013D+00  0.364781D+01  0.162149D+01
      3  -0.499507D+01 -0.153013D+00  0.301177D+01 -0.167204D+01 -0.549070D+00
               111           112           113           114           115 
      1  -0.167204D+01  0.114937D+01  0.169812D+01 -0.132124D+01 -0.670603D+01
      2  -0.549070D+00  0.169812D+01  0.898848D+00 -0.112360D+01 -0.179806D+01
      3  -0.727668D+00 -0.132124D+01 -0.112360D+01 -0.111447D+00 -0.318116D+01
               116           117           118           119           120 
      1  -0.179806D+01 -0.318116D+01 -0.143077D+01  0.228479D+01 -0.888913D+00
      2  -0.169840D+01 -0.509438D-01  0.228479D+01 -0.195112D+01  0.100784D+00
      3  -0.509438D-01  0.345302D+00 -0.888913D+00  0.100784D+00 -0.128353D+01
               121           122           123           124           125 
      1   0.443786D+01 -0.212493D+01  0.243280D+00 -0.157235D+01  0.167337D+00
      2  -0.212493D+01  0.501996D+01 -0.117237D+01  0.167337D+00 -0.153554D+01
      3   0.243280D+00 -0.117237D+01  0.141032D+01 -0.155037D+01  0.108713D+01
               126           127           128           129           130 
      1  -0.155037D+01  0.487885D+00 -0.633360D+00  0.229977D+00 -0.193048D+01
      2   0.108713D+01 -0.633360D+00  0.945601D+00 -0.431064D+00  0.210967D+00
      3  -0.698023D+00  0.229977D+00 -0.431064D+00  0.159584D+01  0.392189D+00
               131           132           133           134           135 
      1   0.210967D+00  0.392189D+00  0.381995D+00 -0.995368D-02  0.359100D+00
      2  -0.321891D+01  0.210044D+01 -0.995368D-02  0.161483D+01 -0.129060D+01
      3   0.210044D+01 -0.273430D+01  0.359100D+00 -0.129060D+01  0.213580D+01
               136           137           138           139           140 
      1  -0.147050D+02  0.137704D+00  0.368540D+01 -0.676999D+00 -0.106615D+01
      2   0.137704D+00 -0.839638D+00 -0.220622D+00 -0.106615D+01 -0.115706D+00
      3   0.368540D+01 -0.220622D+00 -0.247445D+01  0.424689D-01  0.622326D+00
               141           142           143           144           145 
      1   0.424689D-01  0.148315D+01  0.129452D+00 -0.125540D+01 -0.245767D+00
      2   0.622326D+00  0.129452D+00  0.128147D+00 -0.652719D-01  0.760739D+00
      3  -0.179098D+00 -0.125540D+01 -0.652719D-01  0.367804D+00  0.631140D+00
               146           147           148           149           150 
      1   0.760739D+00  0.631140D+00  0.150983D+01  0.756880D-01 -0.451993D+00
      2   0.993214D+00  0.677196D+00  0.756880D-01  0.382715D+01  0.296845D+01
      3   0.677196D+00  0.151550D+01 -0.451993D+00  0.296845D+01  0.354439D+01
               151           152           153           154           155 
      1   0.253197D+00 -0.639668D-01  0.118717D+00 -0.155525D+02 -0.501149D+01
      2  -0.639668D-01  0.216094D+01  0.223072D+01 -0.501149D+01 -0.309622D+01
      3   0.118717D+00  0.223072D+01  0.356579D+01  0.113177D+01 -0.163130D+00
               156           157           158           159           160 
      1   0.113177D+01 -0.795714D+01 -0.579171D+01  0.697174D+00  0.175363D+01
      2  -0.163130D+00 -0.579171D+01 -0.511691D+01  0.667004D+00  0.798801D+00
      3  -0.247649D+01  0.697174D+00  0.667004D+00 -0.151994D+01 -0.230226D+01
               161           162           163           164           165 
      1   0.798801D+00 -0.230226D+01 -0.970746D+01 -0.324411D+01 -0.265546D+01
      2   0.129552D+01 -0.124110D+01 -0.324411D+01 -0.538093D+00 -0.485457D-01
      3  -0.124110D+01  0.181881D+01 -0.265546D+01 -0.485457D-01 -0.101393D+01
               166           167           168           169           170 
      1  -0.656674D+01 -0.136651D+01 -0.980329D+00  0.448972D+00  0.232887D+00
      2  -0.136651D+01 -0.124563D+01 -0.179341D+01  0.232887D+00 -0.449373D+00
      3  -0.980329D+00 -0.179341D+01 -0.231118D+01 -0.785886D+00 -0.140512D+01
               171           172           173           174           175 
      1  -0.785886D+00  0.924155D+01  0.280436D+01  0.103425D+01  0.799535D+01
      2  -0.140512D+01  0.280436D+01  0.993845D+00  0.520730D+00  0.158542D+01
      3  -0.665602D+01  0.103425D+01  0.520730D+00  0.247773D+01  0.137589D+01
               176           177           178           179           180 
      1   0.158542D+01  0.137589D+01  0.455962D+01  0.770693D+00  0.199178D+01
      2   0.616874D+00 -0.315097D+00  0.770693D+00 -0.857279D+00  0.661761D+00
      3  -0.315097D+00  0.164681D+01  0.199178D+01  0.661761D+00 -0.116635D+01
               181           182           183           184           185 
      1   0.451185D+01  0.243458D+01 -0.556986D+00 -0.138791D+02  0.450958D+01
      2   0.243458D+01  0.966358D+01 -0.231346D+01  0.450958D+01  0.326179D+01
      3  -0.556986D+00 -0.231346D+01  0.234458D+01  0.597561D+00 -0.212710D+01
               186           187           188           189           190 
      1   0.597561D+00  0.362055D+01 -0.491358D+00  0.405903D+01  0.373503D+02
      2  -0.212710D+01 -0.491358D+00 -0.284229D+01 -0.220422D+01 -0.853292D+01
      3  -0.701296D+00  0.405903D+01 -0.220422D+01  0.979441D+00  0.522712D+00
               191           192           193           194           195 
      1  -0.853292D+01  0.522712D+00 -0.473083D+01  0.284877D+01  0.127690D+01
      2   0.928695D+01 -0.118888D+01  0.284877D+01 -0.141741D+02  0.296908D+01
      3  -0.118888D+01  0.286974D+01  0.127690D+01  0.296908D+01 -0.815698D+00
               196           197           198           199           200 
      1  -0.336625D+00  0.144556D+01  0.653779D+01 -0.356798D+02  0.129078D+02
      2   0.144556D+01  0.213657D+01 -0.211016D+01  0.129078D+02 -0.933260D+01
      3   0.653779D+01 -0.211016D+01 -0.101844D+00 -0.104081D+01  0.181344D+01
               201           202           203           204           205 
      1  -0.104081D+01  0.193941D+02 -0.594093D+01  0.550887D+00 -0.234686D+01
      2   0.181344D+01 -0.594093D+01  0.826400D+01 -0.853921D-01  0.101320D+01
      3  -0.515391D+00  0.550887D+00 -0.853921D-01  0.152018D+01  0.365544D+00
               206           207           208           209           210 
      1   0.101320D+01  0.365544D+00 -0.931805D+01  0.495766D+01 -0.722387D+00
      2   0.832828D+00  0.427870D+01  0.495766D+01 -0.390316D+01  0.738451D+00
      3   0.427870D+01 -0.264942D+01 -0.722387D+00  0.738451D+00  0.107937D+00
               211           212           213           214           215 
      1  -0.502618D-01  0.268847D+01 -0.649500D+00  0.643664D+00 -0.876849D+00
      2   0.268847D+01  0.121940D+01 -0.476177D+00 -0.876849D+00  0.306753D+00
      3  -0.649500D+00 -0.476177D+00 -0.647962D+00  0.417602D+00  0.710986D+00
               216           217           218           219           220 
      1   0.417602D+00 -0.623787D+00 -0.444673D+01  0.104356D+01 -0.515205D+01
      2   0.710986D+00 -0.444673D+01  0.197805D+01  0.130701D+00 -0.110474D+01
      3  -0.207465D+00  0.104356D+01  0.130701D+00  0.625866D-01  0.499277D+00
               221           222           223           224           225 
      1  -0.110474D+01  0.499277D+00  0.103759D+01  0.460431D+00 -0.204970D+01
      2   0.227515D+01  0.195144D+01  0.460431D+00  0.145803D+01  0.377272D+01
      3   0.195144D+01  0.488685D+01 -0.204970D+01  0.377272D+01 -0.313089D+01
               226           227           228           229           230 
      1  -0.897496D+00 -0.160836D+01  0.441266D+00 -0.540486D+00 -0.127178D+01
      2  -0.160836D+01 -0.237007D+01  0.619320D+00 -0.127178D+01 -0.837447D+01
      3   0.441266D+00  0.619320D+00 -0.424040D+00  0.319854D+00  0.191995D+01
               231           232           233           234           235 
      1   0.319854D+00  0.203561D+00  0.428286D+00  0.339390D-02  0.656345D+01
      2   0.191995D+01  0.428286D+00  0.208842D+01 -0.549692D+00 -0.305479D+01
      3  -0.131715D+01  0.339390D-02 -0.549692D+00  0.372384D+00  0.321969D+00
               236           237           238           239           240 
      1  -0.305479D+01  0.321969D+00 -0.420299D+01  0.445265D+01 -0.972912D+00
      2   0.274312D+01 -0.424283D+00  0.445265D+01 -0.558127D+01  0.917375D+00
      3  -0.424283D+00  0.333930D+00 -0.972912D+00  0.917375D+00 -0.776666D+00
               241           242           243           244           245 
      1   0.518072D+00 -0.971633D+00 -0.278684D+00  0.200043D+01  0.281973D+01
      2  -0.971633D+00  0.112572D+01 -0.224986D+00  0.281973D+01  0.216655D+01
      3  -0.278684D+00 -0.224986D+00  0.245680D+00 -0.771779D+00 -0.604473D+00
               246           247           248           249           250 
      1  -0.771779D+00  0.342903D+01  0.348943D+01 -0.940249D+00 -0.927008D+00
      2  -0.604473D+00  0.348943D+01  0.689642D+01 -0.166265D+01 -0.940890D+00
      3   0.585201D+00 -0.940249D+00 -0.166265D+01  0.132971D+01  0.509584D+00
               251           252           253           254           255 
      1  -0.940890D+00  0.509584D+00 -0.623423D+00 -0.676273D-01 -0.819929D+00
      2  -0.175837D+01  0.447749D+00 -0.676273D-01 -0.583633D+00 -0.167662D-01
      3   0.447749D+00 -0.401374D+00 -0.819929D+00 -0.167662D-01 -0.488027D+00
               256           257           258           259           260 
      1  -0.234850D+01  0.244957D+01  0.119265D+01 -0.336993D+01  0.164075D+01
      2   0.244957D+01 -0.490195D+01 -0.267480D+01  0.164075D+01 -0.293680D+01
      3   0.119265D+01 -0.267480D+01 -0.267492D+01  0.179874D+01 -0.272633D+01
               261           262           263           264           265 
      1   0.179874D+01  0.131825D+00  0.170313D+00  0.112313D+01 -0.593106D+00
      2  -0.272633D+01  0.170313D+00 -0.419770D+00 -0.255383D+00  0.125972D+01
      3  -0.294257D+01  0.112313D+01 -0.255383D+00 -0.319513D-01 -0.104537D+01
               266           267           268           269           270 
      1   0.125972D+01 -0.104537D+01  0.478949D+01 -0.174350D+01  0.318776D+01
      2  -0.171097D+01  0.136266D+01 -0.174350D+01  0.183431D+01 -0.243982D+01
      3   0.136266D+01 -0.212377D+01  0.318776D+01 -0.243982D+01  0.632086D+01
               271           272           273           274           275 
      1   0.143839D+02  0.145861D+01 -0.109459D+01  0.497658D+01  0.142801D+01
      2   0.145861D+01  0.969808D+00 -0.641664D-01  0.142801D+01  0.115642D+01
      3  -0.109459D+01 -0.641664D-01  0.122153D+01 -0.271361D+00 -0.373695D+00
               276           277           278           279 
      1  -0.271361D+00 -0.195608D+01 -0.853987D-01  0.167461D+01
      2  -0.373695D+00 -0.853987D-01 -0.460518D+00 -0.153851D+00
      3   0.338199D+00  0.167461D+01 -0.153851D+00 -0.251629D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.243151D+01  0.258820D+01 -0.164184D+00  0.216671D+01 -0.746619D+00
      2   0.245506D+01  0.926559D+01 -0.132876D+01  0.680950D+01 -0.750542D+01
      3  -0.153031D+02  0.439778D+02 -0.102783D+02  0.196540D+02 -0.293122D+02
                 6             7             8             9            10 
      1  -0.248648D+00 -0.475862D+01  0.860484D+01 -0.196651D+01 -0.184428D+00
      2   0.189447D+01 -0.196284D+02  0.334979D+01  0.142391D+00 -0.252109D+00
      3   0.608883D+01  0.159123D+01  0.317834D+01 -0.452128D+00  0.328976D+02
                11            12            13            14            15 
      1   0.343120D+01 -0.127186D+01  0.172071D-01  0.822730D+00  0.159977D+00
      2   0.102009D+02 -0.572579D+01  0.515875D+01 -0.629605D+01  0.149635D+01
      3   0.369167D+02 -0.101408D+02  0.697102D+02 -0.342960D+02  0.433329D+01
                16            17            18            19            20 
      1  -0.455967D+01  0.739503D+01 -0.164094D+01 -0.346778D+01 -0.607588D+00
      2  -0.214952D+02  0.311845D+01  0.523996D+00 -0.527106D+01 -0.776307D+01
      3  -0.139201D+02  0.509446D+01 -0.491233D+00  0.134303D+02 -0.401670D+02
                21            22            23            24            25 
      1   0.188962D+00 -0.771391D+00 -0.121506D+00 -0.882708D+00 -0.587674D+01
      2   0.107729D+01 -0.276048D+01  0.318054D+01  0.700422D+00 -0.188777D+02
      3   0.958701D+01 -0.955057D+01  0.617754D+01 -0.242623D+01  0.779099D+01
                26            27            28            29            30 
      1   0.305385D+01 -0.107332D+01 -0.359931D+00  0.149686D+01  0.632525D+00
      2   0.826257D+01 -0.189538D+01 -0.546876D+00  0.299572D+01  0.722846D+00
      3  -0.246542D+01 -0.175007D+01 -0.365876D+02  0.129806D+02 -0.182191D+01
                31            32            33            34            35 
      1   0.498231D+01  0.505128D+01 -0.229055D+00  0.431791D+01  0.129729D+02
      2   0.361647D+01 -0.171799D+01  0.187336D+00 -0.118638D+02  0.138169D+01
      3   0.324004D+02 -0.109842D+02 -0.140393D+00 -0.541447D+01 -0.117140D+01
                36            37            38            39            40 
      1  -0.259609D+01 -0.316618D+00  0.537772D+00  0.519973D+01  0.295550D+01
      2   0.405977D+00 -0.454194D+01  0.161643D+01  0.104383D+01 -0.253110D+01
      3  -0.368719D+01 -0.177720D+02  0.601898D+01 -0.162150D+01  0.866966D+01
                41            42            43            44            45 
      1  -0.482036D+00 -0.166860D+01  0.182050D+02  0.425523D+01 -0.148327D+01
      2  -0.286662D+01 -0.111031D+01 -0.810036D+01 -0.753234D+01  0.214712D+01
      3  -0.133999D+01 -0.123643D+01 -0.257259D+01 -0.314416D+00 -0.757183D+01
                46            47            48            49            50 
      1   0.504816D+00 -0.278581D+01 -0.436570D+01 -0.302505D+01 -0.296909D+00
      2   0.663282D+01 -0.794064D+01  0.203989D+01 -0.612444D+01  0.728045D+01
      3   0.359875D+02 -0.332194D+02  0.676986D+01 -0.775148D+01  0.268519D+02
                51            52            53            54            55 
      1  -0.251104D+01 -0.979406D+01 -0.517904D+01  0.381826D+01  0.632102D+00
      2  -0.149648D+01 -0.155515D+02  0.412233D-01  0.191548D+01  0.726681D+01
      3  -0.448993D+01  0.477154D+01 -0.322592D+01  0.609873D+01  0.343695D+02
                56            57            58            59            60 
      1  -0.409652D+01 -0.313571D+01 -0.162622D+01  0.630969D+00 -0.149217D+01
      2  -0.907474D+01 -0.244939D+01 -0.693226D+01  0.648665D+01 -0.260057D+01
      3  -0.347592D+02  0.853823D+01 -0.602635D+01  0.339411D+02 -0.476917D+01
                61            62            63            64            65 
      1  -0.830320D+01 -0.307302D+01  0.189101D+01 -0.291968D+00 -0.549936D+00
      2  -0.210373D+02 -0.308607D+01  0.567315D+01  0.843799D+00  0.655509D+00
      3   0.625553D+01 -0.266578D+01  0.111259D+02  0.723949D+00 -0.251178D+00
                66            67            68            69            70 
      1  -0.133018D+01 -0.796782D+00 -0.158993D+01 -0.282086D+01 -0.802411D+00
      2   0.276276D+00  0.114280D+01 -0.537902D+00  0.177705D+01 -0.207885D+01
      3   0.108521D+00  0.314152D+01 -0.547832D+01  0.131053D+01 -0.222465D+00
                71            72            73            74            75 
      1   0.245737D+01  0.386119D+00 -0.347465D+00  0.311343D+00  0.246987D+01
      2  -0.946429D+00  0.810953D-01 -0.149327D+01  0.118353D+00  0.179254D+01
      3   0.139769D+01  0.441322D+00 -0.987643D+01  0.151988D+01 -0.201339D+00
                76            77            78            79            80 
      1  -0.128973D+01  0.333155D+00 -0.367664D+01 -0.307669D+01  0.108752D+01
      2  -0.371001D+00  0.340552D+00 -0.241934D+01 -0.201477D+01 -0.179183D+00
      3   0.411237D+01  0.765407D+00  0.752679D+00  0.436762D+00 -0.191106D+00
                81            82            83            84            85 
      1   0.688338D+00  0.646230D+00  0.338497D+00 -0.186903D+01  0.637830D+00
      2   0.827558D+00  0.125510D+01  0.674655D+00  0.638511D+00  0.101437D+01
      3   0.136019D+01  0.592704D+01  0.293077D+01 -0.123762D+01  0.508678D+01
                86            87            88            89            90 
      1   0.122207D+01 -0.516875D+01  0.127856D+01  0.215712D+01  0.639509D+00
      2   0.109308D+01  0.990039D+00 -0.913174D+00  0.355323D+00 -0.668142D+00
      3   0.364169D+01 -0.144983D+01 -0.139808D+01 -0.159188D+01 -0.516958D+00
                91            92            93            94            95 
      1   0.252611D+01  0.887307D+00 -0.150559D+01  0.565080D+01  0.466636D+00
      2  -0.434775D+01 -0.177350D+01 -0.554102D+01 -0.193639D+01 -0.992009D+01
      3   0.119022D+02  0.101659D+01  0.196132D+01  0.219987D+02 -0.145588D+02
                96            97            98            99           100 
      1  -0.221653D+01 -0.188185D+01  0.525756D+01  0.983183D+00  0.361889D+01
      2  -0.150422D+01 -0.326736D+02  0.105791D+01  0.547833D+01 -0.993555D+01
      3   0.961848D+01 -0.839789D+00  0.132792D+02  0.698339D+01  0.523476D+01
               101           102           103           104           105 
      1  -0.636848D+01  0.871826D+00 -0.246595D+01  0.519173D+00 -0.117066D+02
      2  -0.949287D+00  0.160805D+02 -0.273503D+01  0.188257D+02  0.300863D+01
      3  -0.141760D+02 -0.216387D+00 -0.836580D+01  0.171875D+01 -0.157991D+02
               106           107           108           109           110 
      1   0.296261D+01 -0.613863D+01 -0.352760D+01 -0.376564D+01  0.195391D+01
      2   0.173890D+02 -0.187111D+00 -0.649028D+01  0.104517D+02  0.574612D+01
      3   0.663164D+01 -0.149037D+02 -0.493887D+01 -0.747957D+01  0.699412D+01
               111           112           113           114           115 
      1   0.955773D+01 -0.854893D+01 -0.727022D+01 -0.499973D+01  0.905557D+01
      2   0.325095D+01  0.676878D+01  0.496181D+01 -0.999854D+01  0.495781D+01
      3  -0.778754D+01  0.692633D+01  0.183161D+02 -0.407977D+01 -0.145743D+02
               116           117           118           119           120 
      1   0.177469D+01  0.510542D+01  0.136438D+01 -0.932887D+00  0.110680D+01
      2  -0.281863D+01  0.346504D+01  0.394884D+01 -0.131866D+01  0.553369D+01
      3  -0.891082D+01 -0.364863D+01  0.897248D+01 -0.698885D+01  0.541619D-01
               121           122           123           124           125 
      1  -0.116502D+01  0.168641D+01 -0.278030D+01  0.100094D+01 -0.207251D+00
      2  -0.162446D+01  0.524692D+01 -0.543117D+01  0.341957D+01 -0.388469D+01
      3  -0.723535D+00  0.180122D+02 -0.458045D+01 -0.110892D+01 -0.630408D+01
               126           127           128           129           130 
      1   0.775005D+00 -0.260689D+01  0.322247D+01 -0.849241D+00  0.137476D+01
      2   0.273571D+01 -0.420307D+01  0.374183D+01 -0.601386D+01  0.355085D+01
      3   0.265523D+01 -0.493905D+01  0.444796D+01 -0.209083D+01  0.364463D+01
               131           132           133           134           135 
      1  -0.886286D+01  0.337772D+01 -0.286397D+00  0.517060D+01 -0.292448D+01
      2  -0.991899D+01  0.993290D+01 -0.295857D+01  0.512282D+01 -0.879290D+01
      3  -0.134036D+02  0.880088D+01 -0.967295D-01  0.594802D+01 -0.539981D+01
               136           137           138           139           140 
      1  -0.251638D+01 -0.269037D+01  0.708430D+00 -0.234044D+01 -0.108901D+01
      2   0.967411D+01  0.834205D+00  0.755964D+01  0.840501D+00 -0.608322D+00
      3  -0.719965D+01 -0.626335D+01  0.104864D+01 -0.396590D+01 -0.130951D+01
               141           142           143           144           145 
      1   0.360920D+00  0.132973D+00  0.135666D+01 -0.393335D+00  0.164532D+01
      2   0.111072D+01  0.111071D+01  0.102969D+01  0.845822D+00 -0.394643D+01
      3   0.219299D+01 -0.181919D+00  0.261556D+01 -0.137711D+01  0.316217D+01
               146           147           148           149           150 
      1   0.297460D+01  0.147981D+00  0.173239D+01  0.774503D+01  0.258500D+01
      2  -0.391067D+01 -0.634696D+01 -0.224286D+01 -0.123532D+02 -0.128263D+02
      3   0.439461D+01  0.245657D+01  0.362515D+01  0.141304D+02  0.103785D+02
               151           152           153           154           155 
      1  -0.391972D+00  0.512673D+01  0.262241D+01  0.390152D+01  0.111720D+00
      2  -0.350328D+01 -0.873782D+01 -0.135314D+02 -0.113403D+02 -0.211018D+01
      3  -0.397325D+00  0.790153D+01  0.814007D+01 -0.717425D+01 -0.202296D+02
               156           157           158           159           160 
      1  -0.688176D+01  0.597116D+01  0.459308D+01 -0.526001D+01 -0.417558D+01
      2   0.183541D+02 -0.218694D+01 -0.550845D+01  0.124325D+02  0.612108D+01
      3   0.107087D+00 -0.173487D+02 -0.269874D+02  0.203839D+01  0.400510D+01
               161           162           163           164           165 
      1   0.833483D+00  0.263487D+01  0.539704D+01  0.285797D+01 -0.310906D+01
      2   0.441865D+01 -0.106112D+02 -0.101761D+02 -0.571392D+01  0.230787D+01
      3   0.610001D+01 -0.300219D+01 -0.805235D+01 -0.427976D+01  0.165575D+01
               166           167           168           169           170 
      1   0.810098D+01  0.529625D+01  0.390151D+00 -0.147701D+01  0.599409D+01
      2  -0.980512D+01  0.427108D+01  0.898457D+01 -0.198199D+01  0.461756D+01
      3  -0.122060D+01 -0.617609D+01 -0.928845D+01  0.447997D+01 -0.242021D+01
               171           172           173           174           175 
      1  -0.417529D+01 -0.801734D+01 -0.375146D+01  0.119739D+01 -0.968345D+01
      2   0.210559D+02  0.188374D+02  0.446975D+01 -0.663618D+01  0.976368D+01
      3  -0.483931D+01  0.246027D+01  0.294695D+01  0.248384D+01  0.941497D+01
               176           177           178           179           180 
      1  -0.410202D+01 -0.108371D+01  0.130753D+00  0.310141D+00 -0.141778D+01
      2   0.407436D+01 -0.477329D+01 -0.305899D+01 -0.109502D+01  0.576314D+01
      3   0.181587D+01  0.122173D+01  0.294079D+01  0.113956D+01  0.719949D+00
               181           182           183           184           185 
      1   0.338876D+00  0.328063D+01  0.386744D+01  0.262944D+01  0.868093D+00
      2  -0.548973D+01  0.160167D+01  0.608719D+01 -0.360970D+01 -0.591249D+01
      3  -0.205351D+02  0.539240D+01 -0.192525D+01 -0.195448D+02 -0.778899D+01
               186           187           188           189           190 
      1  -0.222336D+01  0.115791D+02  0.490415D+01 -0.229189D+01 -0.125119D+01
      2  -0.954361D+00 -0.403950D+01 -0.989524D+01  0.228429D+01 -0.355015D+01
      3   0.375424D+01  0.644537D+01  0.380601D+01 -0.133286D+01  0.117881D+02
               191           192           193           194           195 
      1   0.288113D+01 -0.247322D+01  0.230033D+01  0.131819D+01  0.204308D+01
      2   0.509998D+01 -0.230390D+01  0.101748D+02 -0.134070D+01 -0.875306D+00
      3   0.164400D+02 -0.386628D+01  0.374544D+02 -0.545969D+01  0.232129D+00
               196           197           198           199           200 
      1  -0.948436D+00  0.141649D+02 -0.384414D+01 -0.546963D+00 -0.303286D+01
      2  -0.469895D+00  0.174465D+01 -0.169350D+00 -0.354513D+01 -0.669872D+01
      3  -0.100465D+02  0.223673D+00  0.534573D+01 -0.363045D+02 -0.273184D+02
               201           202           203           204           205 
      1   0.113941D+01 -0.245447D+01  0.186373D+01 -0.291449D+01 -0.764628D+01
      2   0.466718D+01 -0.446656D+01  0.816942D+01  0.648990D+00 -0.148930D+02
      3   0.745734D+01  0.104300D+02  0.837269D+01 -0.545809D+01  0.360741D+01
               206           207           208           209           210 
      1   0.269436D+01  0.590180D+00  0.114941D+01 -0.247232D+01  0.318320D+01
      2   0.166569D+02 -0.640179D+01  0.180684D+01 -0.682464D+01  0.147665D+02
      3  -0.734005D+01 -0.770505D+01 -0.236623D+01 -0.394122D+02  0.601394D+01
               211           212           213           214           215 
      1   0.344535D+00 -0.175857D+01 -0.444841D+01  0.131228D+01 -0.134589D+01
      2  -0.218515D+01 -0.249932D+01 -0.413126D+01 -0.463891D+01  0.334941D+01
      3  -0.286220D+01 -0.624505D+01  0.233272D+01  0.185760D+01  0.279632D+01
               216           217           218           219           220 
      1   0.114760D+01  0.685001D+00  0.996476D+00 -0.867607D+00 -0.922989D+00
      2  -0.101636D+01  0.764846D+01  0.342057D+01 -0.750411D+00  0.431651D+01
      3  -0.405735D+01  0.355955D+02  0.303413D+01 -0.484383D+01  0.182272D+02
               221           222           223           224           225 
      1   0.238384D+01  0.588979D+01 -0.105262D+02  0.860049D+01 -0.407985D+01
      2   0.848891D+01  0.308309D+02 -0.159379D+02  0.242897D+02 -0.198982D+02
      3  -0.286324D+02 -0.993957D+01 -0.480816D+01 -0.749724D+01 -0.242624D+02
               226           227           228           229           230 
      1   0.132173D+00 -0.279614D+00 -0.150795D+01  0.691220D-01 -0.826941D+00
      2   0.205990D+01  0.168528D+01 -0.281360D+00  0.149150D+01  0.421746D+01
      3   0.765721D+01  0.547373D+01 -0.180380D+01  0.571589D+01  0.163505D+02
               231           232           233           234           235 
      1  -0.403274D+01  0.884165D+00  0.283100D+01  0.302044D+00 -0.977934D+00
      2  -0.131756D+01 -0.425708D+00 -0.104597D+01  0.124055D+00 -0.261874D+01
      3  -0.422763D+01 -0.205221D+01 -0.441990D+01  0.493824D+00 -0.597263D+01
               236           237           238           239           240 
      1   0.648403D+00  0.148203D+01 -0.321852D+00 -0.608603D+00 -0.274021D+01
      2  -0.150891D+00  0.151569D+01 -0.144571D+01  0.161976D+01 -0.318155D+01
      3  -0.396575D+01  0.990772D+00 -0.521754D+01  0.126435D+02 -0.157376D+01
               241           242           243           244           245 
      1  -0.251367D+01  0.128264D+01  0.499296D+00  0.122804D+00 -0.123869D+00
      2  -0.216478D+01 -0.221375D+00  0.114658D+01 -0.128326D+01 -0.975606D+00
      3   0.258148D+01 -0.258912D+01  0.144343D+01 -0.387452D+01 -0.372420D+01
               246           247           248           249           250 
      1  -0.149742D+01  0.187670D+00 -0.333975D+00 -0.350839D+01 -0.116691D+00
      2   0.207250D+01 -0.127576D+01 -0.389530D+01  0.439368D+01 -0.126021D+01
      3   0.839672D+00 -0.223427D+01 -0.166594D+02  0.367374D+01  0.112997D+01
               251           252           253           254           255 
      1   0.185106D+01  0.541753D+00  0.185014D+00 -0.167235D+00 -0.109661D+01
      2   0.557299D+00 -0.891988D+00 -0.569134D+01 -0.272078D+00 -0.207352D+01
      3   0.425696D+01 -0.458974D+00  0.246592D+01  0.263934D+01  0.113734D+01
               256           257           258           259           260 
      1   0.114788D+01 -0.153007D+01 -0.464489D+01  0.234284D+01 -0.116414D+01
      2   0.440577D+01 -0.133676D+02 -0.154647D+02  0.706774D+01 -0.153575D+02
      3  -0.105579D+02  0.322032D+02  0.147080D+02 -0.562988D+01  0.178807D+02
               261           262           263           264           265 
      1  -0.425992D+01  0.353520D+00 -0.270223D+00 -0.427198D+00 -0.728935D+00
      2  -0.158588D+02  0.766355D+01 -0.160728D+01  0.240365D+00 -0.523926D+01
      3   0.157034D+02 -0.182263D+00  0.993999D+00  0.602070D+00 -0.639165D+01
               266           267           268           269           270 
      1   0.962536D+00 -0.303702D+01  0.372297D+01 -0.328487D-01  0.740057D+01
      2   0.810021D+01 -0.127614D+02  0.138812D+02 -0.149963D+02  0.370962D+02
      3   0.132607D+02 -0.841013D+01  0.657349D+01 -0.128002D+02  0.149020D+02
               271           272           273           274           275 
      1  -0.984203D+00 -0.389317D+00  0.598987D+00 -0.178189D+00 -0.491808D+00
      2  -0.626075D+01 -0.694818D+00  0.954465D+01 -0.158209D+01 -0.210846D+01
      3  -0.203995D+02 -0.105863D+02  0.167524D+01 -0.111478D+02 -0.812852D+01
               276           277           278           279 
      1  -0.632599D+00  0.165399D+01  0.227150D+00 -0.311663D-02
      2   0.245775D+01  0.831728D+01 -0.811335D+00 -0.153778D+01
      3   0.248367D+01  0.216451D+01  0.319330D+01  0.787420D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.904719D+02  0.561417D+02 -0.920801D+01 -0.799324D+02 -0.166506D+01
      2   0.501300D+02 -0.366939D+02  0.599179D+01  0.449576D+02  0.280112D+01
      3   0.403419D+02 -0.194478D+02  0.321622D+01  0.349749D+02 -0.113606D+01
      4   0.557825D+02 -0.540152D+01 -0.146943D+01 -0.757252D+01 -0.320249D+01
      5  -0.182226D+02  0.390700D+00  0.156550D+01 -0.268892D+01  0.300512D+01
      6   0.708188D+00  0.181239D+01 -0.745094D-01  0.240127D+01 -0.291002D+01
                 6             7             8             9            10 
      1   0.242309D+01  0.250075D+02 -0.599474D+01 -0.107134D+02  0.992176D+02
      2  -0.372654D+01 -0.126677D+02  0.226959D+01 -0.106601D+01 -0.472098D+02
      3   0.130345D+01 -0.123398D+02  0.372515D+01  0.117794D+02 -0.520078D+02
      4   0.166198D+01 -0.175359D+01  0.109067D+01  0.894066D+00 -0.207159D+02
      5   0.184264D+00  0.165729D+01 -0.188582D+01  0.641068D+00  0.793704D+01
      6   0.107194D+01  0.144952D+01  0.274195D+01  0.254694D+01 -0.659576D+01
                11            12            13            14            15 
      1  -0.945554D+01 -0.473269D+01  0.819475D+02 -0.341596D+02  0.185011D+01
      2   0.404011D+01  0.224517D+01 -0.400029D+02  0.278197D+02 -0.521083D+01
      3   0.541544D+01  0.248751D+01 -0.419445D+02  0.633994D+01  0.336071D+01
      4   0.659689D+01 -0.195348D+01 -0.172893D+02  0.133124D+02 -0.173179D+01
      5  -0.669324D+01 -0.529530D+01  0.875758D+01 -0.247816D+01  0.768699D+00
      6   0.278977D+01  0.126254D+01 -0.242824D+01 -0.314677D+01  0.587986D+00
                16            17            18            19            20 
      1  -0.269063D+02  0.732885D+01 -0.783361D+01  0.570578D+02 -0.596483D+02
      2   0.136189D+02 -0.619538D+01 -0.686311D+00 -0.331212D+02  0.449491D+02
      3   0.132874D+02 -0.113346D+01  0.851992D+01 -0.239366D+02  0.146992D+02
      4   0.629488D+01 -0.261794D+01  0.264596D+01 -0.516213D+02  0.385293D+01
      5  -0.188860D+01  0.288629D+01  0.678563D+00  0.198400D+02 -0.843756D+00
      6   0.387606D+01  0.430514D+01  0.198644D+01 -0.119410D+01 -0.244829D+01
                21            22            23            24            25 
      1   0.109048D+02  0.463575D+01  0.338035D+02 -0.835791D+01 -0.480580D+01
      2  -0.828661D+01 -0.137979D+02 -0.343962D+02  0.868615D+01  0.651460D+01
      3  -0.261821D+01  0.916211D+01  0.592678D+00 -0.328238D+00 -0.170880D+01
      4   0.467826D+00  0.229908D+02 -0.500483D+01  0.379032D+01 -0.371726D+01
      5  -0.454855D+01 -0.975876D+01  0.584050D+01  0.590485D+01  0.393737D+01
      6   0.147266D+01  0.855436D+01  0.903692D+01  0.609844D+00  0.139453D+01
                26            27            28            29            30 
      1  -0.381276D+01 -0.675862D+01  0.187691D+01  0.623956D+01  0.123582D+01
      2   0.834383D+01 -0.806696D+01 -0.152674D+02 -0.868338D+01 -0.193570D+00
      3  -0.453107D+01  0.148256D+02  0.133905D+02  0.244382D+01 -0.104225D+01
      4   0.599497D+01  0.260047D+01  0.176562D+02  0.113146D+02  0.118634D+00
      5   0.954024D+01 -0.272695D+01 -0.174402D+02  0.287224D+01  0.939224D+01
      6   0.433015D+01  0.645329D+00  0.104131D+02 -0.105780D+00 -0.232570D+01
                31            32            33            34            35 
      1   0.251809D+02 -0.738372D+02  0.144693D+02 -0.449922D+01  0.166570D+02
      2  -0.177582D+02  0.699447D+02 -0.179712D+02  0.100938D+01 -0.172175D+02
      3  -0.742273D+01  0.389249D+01  0.350194D+01  0.348984D+01  0.560505D+00
      4  -0.410637D+02  0.211962D+01  0.306509D+01  0.222188D+02  0.139115D+01
      5   0.165355D+02  0.176645D+01 -0.130066D+01  0.322606D+02 -0.602288D+01
      6   0.214768D+01 -0.106063D+02  0.845812D+00 -0.538466D+01  0.731538D+01
                36            37            38            39            40 
      1  -0.256291D+01 -0.660829D+01  0.712671D+02 -0.171238D+02 -0.189326D+02
      2  -0.497290D+01  0.690398D+00 -0.607417D+02  0.111747D+02  0.199672D+02
      3   0.753581D+01  0.591789D+01 -0.105254D+02  0.594906D+01 -0.103462D+01
      4   0.278402D+01  0.453123D+01 -0.198921D+02  0.355421D+01  0.136215D+02
      5  -0.165654D+00 -0.403865D+00 -0.557905D+00  0.394223D+01  0.524033D+01
      6   0.530401D+01 -0.321056D+01  0.769550D+01 -0.109004D+02 -0.138094D+02
                41            42            43            44            45 
      1   0.357853D+02 -0.121201D+02  0.672187D+01 -0.171782D+02 -0.100765D+02
      2  -0.371949D+02  0.110982D+02 -0.140246D+02  0.196085D+02  0.115767D+01
      3   0.140966D+01  0.102189D+01  0.730271D+01 -0.243036D+01  0.891888D+01
      4   0.811199D+01 -0.779513D+01  0.205778D+01 -0.580605D+01 -0.987222D+01
      5  -0.875269D+01 -0.438328D+01  0.204147D+02 -0.668626D+01  0.531086D+01
      6   0.116141D+02  0.208567D+01 -0.203079D+02  0.121678D+02  0.403312D+00
                46            47            48            49            50 
      1   0.888528D+01 -0.518175D+02  0.101887D+02  0.162691D+02 -0.125834D+00
      2  -0.714405D+01  0.458795D+02 -0.586439D+01 -0.141913D+02 -0.517408D+01
      3  -0.174123D+01  0.593798D+01 -0.432435D+01 -0.207782D+01  0.529992D+01
      4   0.736748D+01 -0.473576D+01  0.171664D+01  0.857941D+00 -0.961937D+01
      5  -0.345110D+00  0.577808D+01 -0.208029D+01  0.338088D+00  0.233393D+01
      6   0.430062D+01 -0.292831D+01  0.802719D+01  0.386514D+01  0.132951D+02
                51            52            53            54            55 
      1  -0.720626D+01 -0.500719D+01 -0.344920D+01 -0.229622D+02  0.239046D+01
      2   0.906892D+01  0.761424D+01  0.140198D+02  0.103567D+02 -0.465479D+01
      3  -0.186267D+01 -0.260705D+01 -0.105706D+02  0.126055D+02  0.226432D+01
      4   0.501358D+01  0.200618D+01  0.703582D+01  0.672762D+01 -0.399296D+02
      5   0.136134D+00  0.434403D+01  0.132869D+01 -0.860848D+00  0.779924D+01
      6   0.312026D+01  0.527759D+01  0.226783D+02 -0.816187D+01  0.368419D+01
                56            57            58            59            60 
      1  -0.564878D+02  0.115570D+02  0.177908D+01  0.235235D+02 -0.112327D+02
      2   0.374693D+02 -0.462305D+01 -0.479945D+01 -0.187186D+02  0.948957D+01
      3   0.190185D+02 -0.693391D+01  0.302037D+01 -0.480491D+01  0.174312D+01
      4  -0.279990D+02  0.689223D+01  0.315161D+02 -0.171065D+02  0.120783D+00
      5   0.788159D+01 -0.114381D+02 -0.821670D+01  0.493757D+00 -0.980504D+00
      6  -0.166484D+01  0.658497D+01  0.265769D+01  0.105457D+02  0.171203D+01
                61            62            63            64            65 
      1  -0.171618D+01 -0.756222D+01 -0.204589D+02  0.254167D+01 -0.891886D+00
      2   0.367464D+01  0.147658D+02  0.424948D+01 -0.658473D+00  0.174958D+01
      3  -0.195846D+01 -0.720353D+01  0.162094D+02 -0.188320D+01 -0.857691D+00
      4  -0.552685D+01  0.275823D+01 -0.870539D+01  0.696774D+01  0.891866D+01
      5   0.689499D+00 -0.111178D+02  0.796821D+01 -0.218870D+01 -0.224568D+01
      6   0.204244D+01  0.166470D+02 -0.565517D+01 -0.139339D+01 -0.132563D+01
                66            67            68            69            70 
      1   0.267236D+00 -0.372184D+01 -0.155166D+02  0.426311D+01  0.669331D+00
      2   0.240552D+00  0.509551D+01  0.170656D+02 -0.183402D+01 -0.451383D-01
      3  -0.507787D+00 -0.137366D+01 -0.154900D+01 -0.242909D+01 -0.624193D+00
      4  -0.169784D+01  0.116386D+02  0.164333D+02 -0.355619D+01 -0.270885D+01
      5   0.264182D+01 -0.336584D+01 -0.375027D+01  0.365743D+01  0.198668D+01
      6   0.120892D+01 -0.280880D+01 -0.671971D+01  0.533105D+01  0.215389D+01
                71            72            73            74            75 
      1   0.295355D+01 -0.324984D+01  0.225482D+01  0.549623D+01 -0.106367D+01
      2  -0.261857D+01  0.248958D+01  0.963655D+01 -0.157110D+02  0.182823D+01
      3  -0.334973D+00  0.760265D+00 -0.118914D+02  0.102148D+02 -0.764562D+00
      4  -0.417665D+01  0.227268D+01 -0.277864D+02  0.244482D+02 -0.372196D+01
      5   0.625235D+00 -0.155412D+01  0.403921D+01 -0.383081D+01  0.402913D+01
      6   0.307816D+01 -0.256247D+01 -0.262214D+01  0.307024D+01 -0.369162D+01
                76            77            78            79            80 
      1   0.982743D+01 -0.213172D+02  0.371811D+01 -0.255761D+01  0.430780D+01
      2  -0.215886D+02  0.376910D+02 -0.460825D+01  0.541650D+01 -0.656037D+01
      3   0.117612D+02 -0.163737D+02  0.890133D+00 -0.285889D+01  0.225257D+01
      4   0.274375D+02 -0.341269D+02  0.546161D+01 -0.505074D+01  0.590747D+01
      5  -0.523083D+01  0.556691D+01 -0.436842D+01  0.555079D+00 -0.277798D+01
      6   0.590337D+01 -0.695346D+01  0.689414D+01  0.813263D+00  0.367821D+01
                81            82            83            84            85 
      1  -0.110809D+01 -0.628816D+01 -0.110215D+02  0.313490D+01 -0.804289D+01
      2   0.211579D+01  0.935881D+01  0.162034D+02 -0.319935D+01  0.109556D+02
      3  -0.100770D+01 -0.307065D+01 -0.518185D+01  0.644488D-01 -0.291271D+01
      4  -0.284419D+01  0.839304D+01  0.162736D+02 -0.360898D+01  0.962495D+01
      5   0.167600D+01 -0.138618D+01 -0.240582D+01  0.274688D+01 -0.165189D+01
      6  -0.247464D+01 -0.302668D+01 -0.479379D+01  0.362415D+01 -0.321225D+01
                86            87            88            89            90 
      1  -0.480306D+02  0.117379D+02  0.228947D+01  0.120733D+02 -0.413518D+01
      2   0.657043D+02 -0.126264D+02 -0.331584D+01 -0.150510D+02  0.439145D+01
      3  -0.176737D+02  0.888476D+00  0.102637D+01  0.297766D+01 -0.256267D+00
      4   0.217344D+02 -0.460062D+01 -0.306783D+01 -0.501726D+01  0.266894D+01
      5  -0.227667D+01  0.198267D+01  0.903451D+00  0.236170D+01 -0.140778D+01
      6  -0.168289D+02  0.112799D+02  0.405707D+00  0.663137D+01 -0.418860D+01
                91            92            93            94            95 
      1  -0.329266D-01  0.507669D+01 -0.131903D+02  0.160117D+00 -0.717103D+01
      2   0.422216D+01 -0.736695D-01  0.972059D+00  0.607204D+01 -0.359739D+01
      3  -0.418924D+01 -0.500302D+01  0.122182D+02 -0.623215D+01  0.107684D+02
      4  -0.435682D+01 -0.174537D+02 -0.276534D+01 -0.201774D+02  0.294257D+02
      5   0.383454D-01 -0.433351D+01 -0.183648D+02  0.366232D+00 -0.163353D+02
      6  -0.361816D+01  0.601021D+00  0.781388D+00 -0.409341D+01  0.381773D+01
                96            97            98            99           100 
      1  -0.182327D+01  0.907609D-01 -0.268306D+01 -0.179264D+02 -0.719261D+02
      2   0.186702D+01 -0.144159D+02  0.739261D+01  0.172304D+02  0.416999D+02
      3  -0.437461D-01  0.143251D+02 -0.470955D+01  0.696012D+00  0.302262D+02
      4  -0.188048D+02 -0.587177D+01 -0.204088D+02 -0.347759D+01  0.240001D+01
      5  -0.356403D+01 -0.574990D+02  0.301770D+01  0.178317D+02  0.389176D+02
      6   0.304082D+01  0.243156D+01 -0.140805D+01 -0.160558D+01  0.239774D+00
               101           102           103           104           105 
      1  -0.125871D+01  0.278250D+02 -0.830341D+01  0.322956D+02  0.603985D+01
      2   0.283987D+00 -0.818976D+01  0.192379D+01 -0.698942D+01 -0.181279D+01
      3   0.974719D+00 -0.196352D+02  0.637962D+01 -0.253062D+02 -0.422706D+01
      4   0.198158D+02  0.852376D+00  0.186337D+02 -0.327235D+01  0.243326D+02
      5   0.252355D+01  0.861431D+01  0.419155D+01  0.158090D+02  0.399610D+01
      6  -0.119396D+02 -0.134252D+01 -0.668771D+01 -0.206014D+01 -0.197964D+02
               106           107           108           109           110 
      1   0.588834D+01  0.470230D+01  0.166227D+02 -0.618868D+02 -0.235541D+02
      2   0.141276D+02 -0.391489D+01 -0.215846D+02  0.209846D+02  0.157502D+01
      3  -0.200160D+02 -0.787413D+00  0.496195D+01  0.409022D+02  0.219791D+02
      4  -0.302064D+00  0.207913D+02  0.155515D+01 -0.432867D+02 -0.271613D+02
      5   0.367688D+02 -0.916401D+00 -0.295371D+02  0.100143D+02  0.718008D+00
      6  -0.248902D+01 -0.143518D+02 -0.383687D+01  0.896831D+00  0.384597D+01
               111           112           113           114           115 
      1   0.566008D+01 -0.340714D+02 -0.156845D+02  0.108887D+02  0.330681D+02
      2  -0.405417D+01  0.762063D+01  0.209661D+01 -0.277673D+00 -0.118857D+02
      3  -0.160591D+01  0.264507D+02  0.135879D+02 -0.106110D+02 -0.211824D+02
      4   0.379667D+01 -0.169849D+02 -0.265184D+02  0.119241D+02  0.196176D+02
      5  -0.180078D+01  0.126183D+01  0.872076D+01 -0.723358D+01  0.172453D+02
      6  -0.440993D+01  0.449384D+01 -0.181302D+01 -0.140382D+01  0.297863D+01
               116           117           118           119           120 
      1   0.852050D+01  0.192250D+02  0.139630D+02 -0.115926D+02  0.631619D+01
      2  -0.809439D+00 -0.104996D+01 -0.142065D+01  0.213241D+01 -0.162936D+01
      3  -0.771106D+01 -0.181750D+02 -0.125424D+02  0.946020D+01 -0.468683D+01
      4   0.192266D+02  0.415341D+01 -0.233010D+02  0.223498D+02 -0.210028D+01
      5   0.202693D+01  0.116681D+01  0.804119D+01 -0.163998D+01  0.109637D+02
      6  -0.156067D+01 -0.226486D+01 -0.211429D+01  0.124259D+01 -0.115168D+01
               121           122           123           124           125 
      1  -0.192757D+02  0.349359D+01 -0.112094D+01  0.871194D+01  0.342670D+00
      2   0.524012D+01  0.117686D+02 -0.258473D+01 -0.327710D+01 -0.352473D+01
      3   0.140356D+02 -0.152622D+02  0.370567D+01 -0.543484D+01  0.318206D+01
      4   0.225832D+02 -0.431826D+02  0.992919D+01 -0.404104D+01  0.139201D+02
      5  -0.271201D+01  0.905084D+01 -0.108059D+02  0.131773D+02 -0.882995D+01
      6   0.114291D+01 -0.348854D+01  0.422039D+01 -0.252158D+01  0.587413D+01
               126           127           128           129           130 
      1   0.416759D+01 -0.213045D+01  0.778625D+01 -0.108308D+02  0.110289D+02
      2  -0.189235D+01  0.698413D+00 -0.309786D+01 -0.181164D+00 -0.690673D+01
      3  -0.227523D+01  0.143204D+01 -0.468839D+01  0.110120D+02 -0.412222D+01
      4  -0.951878D+01  0.365810D+01 -0.623840D+01  0.254252D+01 -0.100589D+00
      5   0.584974D+01 -0.301269D+00 -0.267862D+00 -0.605640D+01 -0.838836D+01
      6  -0.306726D+01 -0.353637D+01  0.583007D+01 -0.292050D+01  0.135112D+01
               131           132           133           134           135 
      1  -0.166122D+02  0.109490D+02 -0.506489D+01  0.655661D+01 -0.140466D+02
      2   0.553043D+01  0.348688D+01  0.126458D+01  0.171412D+01 -0.178849D+01
      3   0.110817D+02 -0.144359D+02  0.380031D+01 -0.827073D+01  0.158351D+02
      4   0.221251D+02 -0.144159D+02 -0.301813D+00 -0.105022D+02  0.864236D+01
      5  -0.102820D+02  0.162142D+02  0.168432D+01  0.652977D+01 -0.102954D+02
      6  -0.164559D+02  0.131931D+02 -0.143633D+00  0.106336D+02 -0.801873D+01
               136           137           138           139           140 
      1   0.108566D+03 -0.114589D+01 -0.197512D+02  0.310963D+01  0.570309D+01
      2  -0.654626D+02  0.460541D+00  0.187057D+02 -0.274682D+01 -0.403522D+01
      3  -0.431035D+02  0.685354D+00  0.104543D+01 -0.362805D+00 -0.166787D+01
      4  -0.579642D+01  0.112819D+02  0.243824D+01  0.131189D+02  0.510172D+00
      5  -0.628929D+02  0.179360D+01  0.301435D+02 -0.247382D+01 -0.628932D+01
      6   0.265643D+01 -0.398927D+01 -0.160445D+01 -0.405454D+01 -0.176423D+00
               141           142           143           144           145 
      1  -0.904488D+00 -0.860579D+01 -0.117018D+01  0.880158D+01 -0.117892D+00
      2   0.140534D+01  0.916492D+01  0.512603D+00 -0.716947D+01 -0.693554D+00
      3  -0.500854D+00 -0.559126D+00  0.657573D+00 -0.163211D+01  0.811446D+00
      4  -0.504593D+01 -0.603746D+00 -0.339507D+01  0.523535D+00 -0.327787D+01
      5   0.210829D+01  0.177678D+02  0.120290D+01 -0.758041D+01 -0.318252D+01
      6   0.399192D+01 -0.191343D+00  0.275401D+01  0.446559D+00  0.387171D+01
               146           147           148           149           150 
      1  -0.913659D+01 -0.128484D+02 -0.855778D+01 -0.201682D+02 -0.155968D+02
      2   0.378557D+01  0.169803D+01  0.599995D+01  0.953709D+01 -0.360206D+00
      3   0.535102D+01  0.111504D+02  0.255783D+01  0.106311D+02  0.159570D+02
      4  -0.478109D+01 -0.257062D+01  0.336531D+01 -0.255006D+02 -0.201391D+02
      5  -0.258270D+00 -0.454174D+01  0.874970D+01 -0.159405D+02 -0.213424D+02
      6   0.645981D+01  0.488761D+01 -0.376835D+00  0.217197D+02  0.197462D+02
               151           152           153           154           155 
      1  -0.532062D+01 -0.112598D+02 -0.198366D+02  0.144094D+03  0.373120D+02
      2   0.253994D+01 -0.905216D-01 -0.225012D+01 -0.602853D+02 -0.853594D+01
      3   0.278068D+01  0.113503D+02  0.220867D+02 -0.838090D+02 -0.287761D+02
      4   0.269457D+01 -0.146047D+02 -0.144741D+02  0.692766D+02  0.472591D+02
      5   0.409966D+01 -0.126661D+02 -0.193794D+02  0.128714D+01  0.302187D+01
      6  -0.414705D+00  0.151995D+02  0.159200D+02 -0.180301D+01 -0.645707D+00
               156           157           158           159           160 
      1  -0.102908D+02  0.486500D+02  0.306156D+02 -0.526363D+01 -0.133319D+02
      2   0.181657D+01 -0.745225D+01  0.545678D+01 -0.154210D+01  0.281248D+01
      3   0.847420D+01 -0.411977D+02 -0.360724D+02  0.680572D+01  0.105194D+02
      4  -0.125889D+01  0.663776D+02  0.619043D+02 -0.865752D+01 -0.950978D+01
      5   0.290833D+02 -0.192982D+01 -0.378403D+01  0.174789D+02  0.286374D+02
      6   0.746482D+01  0.666104D+00  0.697630D+00  0.870287D+01  0.859173D+01
               161           162           163           164           165 
      1  -0.416695D+01  0.160376D+02  0.344288D+02  0.146788D+02  0.956393D+01
      2  -0.201545D+01 -0.820608D+01 -0.204039D+02 -0.471194D+01 -0.768199D+01
      3   0.618240D+01 -0.783148D+01 -0.140249D+02 -0.996684D+01 -0.188194D+01
      4  -0.133465D+02  0.141805D+02  0.275736D+02  0.142200D+02  0.243130D+01
      5   0.124947D+02 -0.131297D+02  0.208979D+02  0.350277D+01  0.162887D+02
      6   0.732501D+01 -0.263781D+01  0.107849D+02  0.179062D+01  0.806051D+00
               166           167           168           169           170 
      1   0.195829D+02 -0.413522D+01 -0.109492D+02 -0.682952D+01 -0.827366D+01
      2  -0.908836D+01  0.394541D+01  0.275648D+01 -0.187380D+01  0.187725D+01
      3  -0.104945D+02  0.189809D+00  0.819268D+01  0.870332D+01  0.639642D+01
      4   0.176988D+02  0.108208D+02  0.110973D+02 -0.375717D+01  0.201999D+01
      5   0.114125D+02  0.128744D+02  0.131307D+02  0.158228D+02  0.643181D+01
      6   0.389377D+01  0.904025D+01  0.129945D+02  0.108119D+01  0.106069D+02
               171           172           173           174           175 
      1  -0.259356D+02 -0.370377D+02 -0.896620D+01  0.951326D+01 -0.210624D+02
      2  -0.141505D+02  0.182134D+02  0.306779D+01  0.250306D+01  0.120475D+02
      3   0.400862D+02  0.188243D+02  0.589841D+01 -0.120163D+02  0.901491D+01
      4   0.447731D+01 -0.245745D+02 -0.107126D+02 -0.177258D+01 -0.171577D+02
      5   0.427388D+02 -0.157049D+02 -0.515176D+01 -0.123567D+02 -0.117532D+02
      6   0.124851D+02 -0.813777D+01 -0.482867D+01 -0.359811D+01 -0.565650D+01
               176           177           178           179           180 
      1  -0.102767D+02  0.315812D+01 -0.991442D+00  0.574844D+00 -0.107921D+02
      2   0.493217D+01  0.325710D+01  0.635937D+01  0.778515D+00  0.227154D+01
      3   0.534458D+01 -0.641522D+01 -0.536793D+01 -0.135336D+01  0.852051D+01
      4  -0.689055D+01  0.387488D+00 -0.725453D+01 -0.664561D+00 -0.521171D+01
      5  -0.773357D+00 -0.984358D+01 -0.822162D+01 -0.218888D+01  0.179759D+01
      6  -0.306045D+01  0.780253D+00 -0.353813D+01  0.129314D+01 -0.184210D+01
               181           182           183           184           185 
      1  -0.261464D+01  0.611419D+02 -0.137273D+02 -0.768749D+02  0.346672D+02
      2   0.804226D+00 -0.410736D+02  0.534791D+01  0.487847D+02 -0.263290D+02
      3   0.181041D+01 -0.200683D+02  0.837941D+01  0.280901D+02 -0.833815D+01
      4   0.345908D+02  0.338405D+02 -0.895066D+01  0.348061D+02  0.226631D+02
      5  -0.443245D+01 -0.109232D+02  0.159004D+02 -0.118877D+00 -0.132722D+02
      6  -0.302684D+01  0.582062D+01 -0.860504D+01 -0.103712D+02  0.882236D+01
               186           187           188           189           190 
      1  -0.434819D+01  0.213016D+02 -0.139674D+02  0.294862D+01  0.136901D+03
      2   0.425698D+01 -0.220543D+02  0.137445D+02 -0.838720D+01 -0.762825D+02
      3   0.912154D-01  0.752725D+00  0.222875D+00  0.543857D+01 -0.606181D+02
      4  -0.134473D+02 -0.660608D+01 -0.155740D+02 -0.130448D+02 -0.200923D+02
      5  -0.306465D+01  0.284392D+02 -0.139511D+02  0.871040D+01  0.752936D+01
      6   0.313666D+01 -0.143095D+02  0.898100D+01  0.120142D+01  0.152982D+01
               191           192           193           194           195 
      1  -0.406442D+02  0.282969D+01  0.351605D+01 -0.280311D+02  0.128629D+02
      2   0.260587D+02 -0.211044D+01 -0.648649D+01  0.269152D+02 -0.130153D+02
      3   0.145855D+02 -0.719247D+00  0.297044D+01  0.111589D+01  0.152378D+00
      4   0.288780D+02 -0.603017D+01 -0.264694D+02 -0.600933D+02  0.151549D+02
      5  -0.716283D+01  0.918304D+00  0.167674D+02  0.150276D+02 -0.503778D+01
      6  -0.139437D+00  0.366725D+01  0.602932D+01 -0.882152D+01  0.283933D+00
               196           197           198           199           200 
      1  -0.308261D+01  0.148823D+02  0.228469D+02 -0.112539D+03  0.160440D+02
      2   0.340704D+01 -0.123602D+02 -0.201642D+02  0.545912D+02 -0.661219D+01
      3  -0.324429D+00 -0.252217D+01 -0.268267D+01  0.579480D+02 -0.943182D+01
      4   0.196704D+02  0.954079D+01 -0.693110D+01  0.191543D+02 -0.341000D+02
      5   0.456081D+02 -0.132420D+02  0.184407D+01 -0.488477D+01  0.141973D+02
      6  -0.144684D+01  0.570537D+01  0.374600D+01  0.665851D+01 -0.163153D+01
               201           202           203           204           205 
      1   0.222707D+01  0.907139D+02 -0.145542D+02 -0.531150D+01 -0.152392D+02
      2  -0.144743D+01 -0.561745D+02  0.448487D+00  0.569197D+01  0.125031D+02
      3  -0.779642D+00 -0.345394D+02  0.141057D+02 -0.380465D+00  0.273602D+01
      4   0.102417D+02 -0.111948D+02  0.283227D+02  0.229433D+01  0.462673D+01
      5   0.128211D+01  0.291350D+01  0.150771D+01  0.549977D+01  0.476475D+01
      6  -0.346683D-02  0.512049D+01  0.106081D+02  0.202860D+01  0.309419D+01
               206           207           208           209           210 
      1   0.956021D+00 -0.153409D+02  0.125247D+01  0.327341D+02 -0.490613D+01
      2   0.743915D+01 -0.427766D+00 -0.281329D+01 -0.204550D+02  0.236881D+01
      3  -0.839517D+01  0.157686D+02  0.156082D+01 -0.122791D+02  0.253733D+01
      4   0.934953D+01  0.239500D+02  0.254410D+02  0.454422D+01  0.395584D+01
      5   0.250706D+02 -0.128682D+02 -0.651115D+01  0.453757D+01  0.255638D+02
      6   0.128674D+02 -0.171779D+01  0.110468D+01 -0.766260D+00 -0.516065D+01
               211           212           213           214           215 
      1   0.989123D+01  0.970543D+01 -0.352363D+01 -0.109101D+01 -0.370365D+01
      2  -0.261829D+01 -0.323477D+01  0.461665D+01  0.188642D+01  0.333566D+01
      3  -0.727294D+01 -0.647065D+01 -0.109301D+01 -0.795409D+00  0.367985D+00
      4   0.322566D+02  0.134788D+02 -0.511269D+01 -0.646275D+01 -0.350381D+00
      5  -0.694645D+01 -0.416686D+01 -0.748283D+01  0.122092D+02  0.537739D+01
      6  -0.118298D+01  0.169974D+01  0.716927D+01  0.244786D+01  0.283267D+01
               216           217           218           219           220 
      1   0.244386D+01 -0.693094D+02 -0.424841D+02  0.146296D+02 -0.552095D+02
      2  -0.296424D+01  0.419187D+02  0.213247D+02 -0.757300D+01  0.282427D+02
      3   0.520372D+00  0.273907D+02  0.211594D+02 -0.705657D+01  0.269668D+02
      4   0.715296D+01 -0.396779D+02  0.128892D+02  0.158792D+01 -0.148522D+02
      5  -0.329209D+01  0.140064D+02  0.186006D+01 -0.500103D+01  0.709251D+01
      6  -0.221392D+01 -0.160750D+01 -0.883118D+00  0.162422D+01  0.194864D+01
               221           222           223           224           225 
      1   0.983281D+01  0.101612D+02  0.162590D+02  0.782279D+01  0.199306D+01
      2  -0.931713D+01 -0.120401D+02 -0.430327D+01 -0.978863D+01 -0.159596D+01
      3  -0.515678D+00  0.187890D+01 -0.119558D+02  0.196584D+01 -0.397106D+00
      4   0.287386D+02  0.202875D+02  0.567829D+01  0.142867D+02  0.390074D+02
      5   0.205490D+02  0.597989D+02 -0.231210D+02  0.426939D+02 -0.373161D+02
      6  -0.813917D+01 -0.172504D+02  0.103143D+02 -0.136112D+02  0.740101D+01
               226           227           228           229           230 
      1  -0.718219D+01 -0.154302D+02  0.438104D+01 -0.750296D+01 -0.433543D+02
      2   0.689120D+01  0.144213D+02 -0.289848D+01  0.708414D+01  0.490751D+02
      3   0.290990D+00  0.100891D+01 -0.148256D+01  0.418818D+00 -0.572082D+01
      4   0.260839D+00  0.511670D+01 -0.808976D+00  0.273921D+01 -0.949702D+01
      5   0.231361D+00 -0.551534D+00  0.991694D+00 -0.112588D+00  0.377672D+01
      6  -0.222285D+01 -0.409472D+01  0.284795D+01 -0.195086D+01 -0.145235D+02
               231           232           233           234           235 
      1   0.109041D+02  0.227023D+01  0.111107D+02 -0.393878D+01  0.406044D+02
      2  -0.894930D+01 -0.206550D+01 -0.112043D+02  0.342331D+01 -0.154611D+02
      3  -0.195476D+01 -0.204735D+00  0.936697D-01  0.515476D+00 -0.251432D+02
      4   0.263559D+01 -0.149946D+00  0.257386D+01  0.103267D+01 -0.304398D+02
      5  -0.254584D+01  0.154460D+01 -0.126750D+00 -0.111040D+00  0.543006D+01
      6   0.935427D+01  0.461091D+00  0.546861D+01 -0.347379D+01 -0.166721D+01
               236           237           238           239           240 
      1  -0.121014D+02  0.665076D+00 -0.123320D+02  0.440545D+01 -0.118515D+01
      2  -0.438089D+00  0.242202D+00 -0.501594D+01  0.146943D+02 -0.608225D+00
      3   0.125395D+02 -0.907278D+00  0.173479D+02 -0.190998D+02  0.179338D+01
      4   0.246246D+02 -0.364128D+01  0.364949D+02 -0.420868D+02  0.667651D+01
      5  -0.474251D+01  0.367128D+01 -0.898103D+01  0.855826D+01 -0.652717D+01
      6   0.235055D+01 -0.211565D+01  0.555557D+01 -0.632678D+01  0.535820D+01
               241           242           243           244           245 
      1   0.469393D-01 -0.793761D+00 -0.150582D+01  0.485916D+01  0.818523D+01
      2   0.303748D+01 -0.247166D+01  0.145182D+01  0.239168D+01  0.892278D+00
      3  -0.308442D+01  0.326542D+01  0.539995D-01 -0.725084D+01 -0.907751D+01
      4  -0.725527D+01  0.794756D+01 -0.271396D+01  0.238698D+02  0.225717D+02
      5  -0.363200D+00 -0.247069D+01  0.194143D+01 -0.559799D+01 -0.483613D+01
      6  -0.378150D-01  0.251742D+01 -0.175462D+01 -0.283097D+01 -0.270904D+01
               246           247           248           249           250 
      1  -0.196766D+01  0.620004D+01 -0.873381D+01  0.211530D+01 -0.165224D+01
      2   0.655267D+00  0.591370D+01  0.232820D+02 -0.299304D+01 -0.275966D+00
      3   0.131239D+01 -0.121137D+02 -0.145482D+02  0.877742D+00  0.192820D+01
      4  -0.585001D+01  0.297064D+02  0.490779D+02 -0.114675D+02 -0.777783D+01
      5   0.501720D+01 -0.635603D+01 -0.974354D+01  0.853437D+01  0.416507D+01
      6   0.270506D+01 -0.441923D+01 -0.858308D+01  0.746007D+01  0.348878D+01
               251           252           253           254           255 
      1   0.141104D+01 -0.103283D+01  0.176531D+01 -0.583101D+01 -0.109558D+02
      2  -0.419999D+01  0.211792D+01 -0.213960D+00  0.336498D+01  0.536319D+01
      3   0.278895D+01 -0.108509D+01 -0.155135D+01  0.246603D+01  0.559262D+01
      4  -0.124485D+02  0.457633D+01 -0.301994D+01 -0.739631D+00  0.208567D+01
      5   0.273071D+01 -0.288131D+01 -0.976188D+01  0.124930D+01 -0.295321D+01
      6   0.390499D+01 -0.341967D+01  0.265894D+01  0.822787D+00  0.189753D+01
               256           257           258           259           260 
      1  -0.198938D+02  0.204315D+01 -0.421633D+00 -0.293335D+02  0.225186D+01
      2   0.559834D+01  0.112636D+02  0.478166D+01  0.131675D+02  0.308900D+01
      3   0.142955D+02 -0.133067D+02 -0.436003D+01  0.161660D+02 -0.534086D+01
      4   0.324667D+02 -0.538564D+02 -0.278108D+02  0.202653D+02 -0.308198D+02
      5   0.141223D+02 -0.285717D+02 -0.304034D+02  0.219693D+02 -0.293442D+02
      6  -0.685493D+01  0.134782D+02  0.122527D+02 -0.806922D+01  0.128943D+02
               261           262           263           264           265 
      1  -0.369441D+00  0.980280D+01 -0.147440D+01  0.126394D+02 -0.558108D+01
      2  -0.961205D+00 -0.643928D+01  0.103720D+01 -0.557345D+01  0.185679D+01
      3   0.133065D+01 -0.336352D+01  0.437204D+00 -0.706593D+01  0.372430D+01
      4  -0.272288D+02 -0.932909D+00 -0.838368D+00 -0.510336D+01  0.177937D+02
      5  -0.308973D+02  0.135881D+02 -0.433417D+01  0.351222D+01 -0.136254D+02
      6   0.117664D+02 -0.304671D+01  0.823308D+00  0.247837D+00  0.411612D+01
               266           267           268           269           270 
      1   0.286362D+01 -0.460456D+01  0.421401D+02 -0.871316D+01  0.848001D+01
      2   0.923352D+00  0.181126D+01 -0.256962D+02  0.459245D+01 -0.139654D+02
      3  -0.378697D+01  0.279330D+01 -0.164439D+02  0.412071D+01  0.548542D+01
      4  -0.203509D+02  0.151839D+02 -0.224048D+02  0.212101D+02 -0.248579D+02
      5   0.159115D+02 -0.254392D+02  0.410498D+02 -0.281357D+02  0.718384D+02
      6  -0.558321D+01  0.101083D+02 -0.950621D+01  0.106657D+02 -0.161074D+02
               271           272           273           274           275 
      1   0.190496D+03  0.180062D+02 -0.134659D+02  0.582182D+02  0.183428D+02
      2  -0.101105D+03 -0.104510D+02  0.761473D+01 -0.315647D+02 -0.932333D+01
      3  -0.893909D+02 -0.755520D+01  0.585117D+01 -0.266534D+02 -0.901945D+01
      4   0.147620D+02  0.156961D+02 -0.679796D+00  0.217434D+02  0.144059D+02
      5  -0.142336D+02 -0.849583D+00  0.184058D+02 -0.343848D+01 -0.437577D+01
      6   0.214661D+01 -0.612458D-01 -0.120596D+01  0.166787D+00  0.519493D+00
               276           277           278           279 
      1  -0.403633D+01 -0.231683D+02 -0.218888D+01  0.168593D+02
      2   0.281739D+01  0.130441D+02  0.207387D+01 -0.100640D+02
      3   0.121894D+01  0.101242D+02  0.115012D+00 -0.679528D+01
      4  -0.432423D+01 -0.100683D+01 -0.531254D+01 -0.964816D+00
      5   0.492783D+01  0.240006D+02 -0.108016D+01 -0.388294D+01
      6   0.132728D+01 -0.106585D+01  0.227357D+01 -0.151382D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.210330D+01      0.534607D+01      0.178326D+02
   x          0.199435D+01      0.506914D+01      0.169088D+02
   y          0.571605D+00      0.145287D+01      0.484627D+01
   z          0.345983D+00      0.879402D+00      0.293337D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183454D+03      0.271851D+02      0.302475D+02
   aniso      0.146367D+03      0.216893D+02      0.241326D+02
   xx         0.274146D+03      0.406242D+02      0.452006D+02
   yx        -0.138067D+02     -0.204594D+01     -0.227641D+01
   yy         0.162745D+03      0.241164D+02      0.268331D+02
   zx        -0.823187D+01     -0.121984D+01     -0.135725D+01
   zy        -0.103439D+02     -0.153281D+01     -0.170548D+01
   zz         0.113472D+03      0.168148D+02      0.187090D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.196428D+03      0.291077D+02      0.323867D+02
   aniso      0.159191D+03      0.235897D+02      0.262471D+02
   xx         0.294609D+03      0.436566D+02      0.485745D+02
   yx        -0.171241D+02     -0.253753D+01     -0.282338D+01
   yy         0.174439D+03      0.258492D+02      0.287611D+02
   zx        -0.789277D+01     -0.116959D+01     -0.130134D+01
   zy        -0.113019D+02     -0.167477D+01     -0.186343D+01
   zz         0.120237D+03      0.178173D+02      0.198245D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.02064422         -0.90707113          0.92433595
     6          0.29799910          1.29262756          2.45517971
     6         -0.79111718         -0.63076508         -1.61612003
     6         -1.23436076          1.70799721         -2.66022976
     6         -0.90596916          3.87883470         -1.12724036
     6         -0.16883850          3.68343637          1.34444199
     6          0.44876481         -3.29199181          2.02312660
     1         -1.02378559         -2.32195680         -2.75048061
     1         -1.25383109          5.72537254         -1.94061820
     1          0.06938850          5.36626651          2.48432395
     6         -2.11526311          1.97671064         -5.37029115
     6         -4.85555211          1.12855166         -5.73618687
     6         -0.36798204          0.67575731         -7.28292117
     1         -1.99150682          3.98402550         -5.86765842
     1         -5.06386510         -0.86953240         -5.27920243
     1         -5.44215984          1.40038669         -7.68833598
     1         -6.09590511          2.20775896         -4.49512796
     8         -1.08109917         -0.25381863         -9.22007182
     8          2.12718921          0.72793364         -6.72331029
     1          2.36097213          1.35135007         -5.01753061
     6          1.19166424         -3.51819408          4.49473538
     6          1.50416040         -1.33181816          6.00282811
     6          1.06302996          1.02301370          4.98795886
     8          2.23511561         -1.40618548          8.46480390
     6          2.71681305         -3.78418175          9.60339744
     1          0.21493645         -4.97201390          0.87784433
     1          1.53446680         -5.37165096          5.27482479
     1          1.31272682          2.67370420          6.16906134
     1          4.25898473         -4.77975437          8.65402108
     1          1.02923267         -4.97702780          9.60823917
     1          3.26449527         -3.37777783         11.54119069

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.210330D+01      0.534607D+01      0.178326D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.210330D+01      0.534607D+01      0.178326D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183454D+03      0.271851D+02      0.302475D+02
   aniso      0.146367D+03      0.216893D+02      0.241326D+02
   xx         0.124841D+03      0.184996D+02      0.205835D+02
   yx        -0.145924D+02     -0.216237D+01     -0.240596D+01
   yy         0.174560D+03      0.258671D+02      0.287810D+02
   zx         0.439368D+02      0.651076D+01      0.724420D+01
   zy        -0.310115D+02     -0.459543D+01     -0.511311D+01
   zz         0.250962D+03      0.371888D+02      0.413781D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.196428D+03      0.291077D+02      0.323867D+02
   aniso      0.159191D+03      0.235897D+02      0.262471D+02
   xx         0.132345D+03      0.196116D+02      0.218208D+02
   yx        -0.163320D+02     -0.242015D+01     -0.269278D+01
   yy         0.188222D+03      0.278917D+02      0.310337D+02
   zx         0.470809D+02      0.697666D+01      0.776259D+01
   zy        -0.355544D+02     -0.526862D+01     -0.586213D+01
   zz         0.268718D+03      0.398198D+02      0.443055D+02

 ----------------------------------------------------------------------
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 EXPERIENCE IS THE FRUIT OF THE TREE OF ERRORS.
 Job cpu time:       0 days 13 hours 14 minutes 16.8 seconds.
 Elapsed time:       0 days  1 hours 39 minutes 21.5 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 12:26:30 2021.
